methyl (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(4-chlorophenyl)methylthio]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(4-chlorobenzyl)thio]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C20H17ClN2O2S2 MolecularWeight: 416.94418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C20H17ClN2O2S2/c1-12-17(20(24)25-2)18(16-4-3-9-26-16)15(10-22)19(23-12)27-11-13-5-7-14(21)8-6-13/h3-9,18,23H,11H2,1-2H3/t18-/m0/s1