(4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-N-(o-tolyl)-4-(2-thienyl)-3,4-dihydropyridine-3-carboxamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2C(C(=C(N=C2C)SCC(=O)N)C#N)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2[C@@H](C(=C(N=C2C)SCC(=O)N)C#N)C3=CC=CS3

InChI

InChI=1S/C21H20N4O2S2/c1-12-6-3-4-7-15(12)25-20(27)18-13(2)24-21(29-11-17(23)26)14(10-22)19(18)16-8-5-9-28-16/h3-9,18-19H,11H2,1-2H3,(H2,23,26)(H,25,27)/t18?,19-/m0/s1