(4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N)SCC(=O)N

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N)SCC(=O)N

InChI

InChI=1S/C22H19ClN4O2S/c1-13-19(21(29)27-14-7-3-2-4-8-14)20(15-9-5-6-10-17(15)23)16(11-24)22(26-13)30-12-18(25)28/h2-10,19-20H,12H2,1H3,(H2,25,28)(H,27,29)/t19?,20-/m1/s1