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

Systemtic Name: methyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-6-mercapto-4-(4-methoxycarbonylphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(4-carbomethoxyphenyl)-5-cyano-6-mercapto-2-methyl-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-9-13(17(21)23-3)14(12(8-18)15(24)19-9)10-4-6-11(7-5-10)16(20)22-2/h4-7,13-14,24H,1-3H3/t13?,14-/m0/s1