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Compound Report Overview

Compound Name: ETHYL 2-(PHENYLTHIO)ETHYL 1,4-DIHYDRO-2,4,6-TRIMETHYLPYRIDINE-3,5-DICARBOXYLATE

Compound Identifier: 704471

Mol Structure 2D: 704471

Molecular Weight: 375

Formula: C20 H25 N O4 S

Development Status: Biochemical standard

SMILES: CCOC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc2ccccc2)C

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222102D 0 0.00000 0.00000 0^^ 26 27 0 0 0 999 V2000^ -1.0083 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3458 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0083 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3458 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6833 0.4000 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.6833 -1.1375 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3333 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0208 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3333 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0208 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.6833 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3417 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3500 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.9958 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3375 0.4375 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.7000 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0125 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0000 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6833 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0125 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6667 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6875 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 5 1 0 0 0^ 3 1 2 0 0 0^ 4 2 2 0 0 0^ 5 1 1 0 0 0^ 6 3 1 0 0 0^ 7 1 1 0 0 0^ 8 2 1 0 0 0^ 9 7 2 0 0 0^ 10 8 2 0 0 0^ 11 8 1 0 0 0^ 12 7 1 0 0 0^ 13 3 1 0 0 0^ 14 4 1 0 0 0^ 15 18 1 0 0 0^ 16 5 1 0 0 0^ 17 15 1 0 0 0^ 18 19 1 0 0 0^ 19 12 1 0 0 0^ 20 11 1 0 0 0^ 21 17 2 0 0 0^ 22 17 1 0 0 0^ 23 20 1 0 0 0^ 24 21 1 0 0 0^ 25 22 2 0 0 0^ 26 25 1 0 0 0^ 4 6 1 0 0 0^ 26 24 2 0 0 0^M END^^

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