ethyl 5-cyano-2-phenyl-6-(phenylmethylsulfanyl)-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-(phenylmethylsulfanyl)-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-benzylsulfanyl-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(phenylmethylthio)-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzylsulfanyl-5-cyano-2-phenyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-cyano-2-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O2S/c1-2-32-27(31)24-23(21-14-9-15-29-17-21)22(16-28)26(33-18-19-10-5-3-6-11-19)30-25(24)20-12-7-4-8-13-20/h3-15,17,23,30H,2,18H2,1H3