methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-(3-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3-thiophenyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-2-methyl-6-sulfanyl-4-thiophen-3-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-6-mercapto-2-methyl-4-(3-thienyl)-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C13H12N2O2S2 MolecularWeight: 292.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CSC=C2)C#N)S

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CSC=C2)C#N)S

InChI

InChI=1S/C13H12N2O2S2/c1-7-10(13(16)17-2)11(8-3-4-19-6-8)9(5-14)12(18)15-7/h3-4,6,10-11,18H,1-2H3/t10?,11-/m0/s1