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

Systemtic Name: ethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-3-25-18(24)15-10(2)22-17(26-9-14(21)23)13(8-20)16(15)11-4-6-12(19)7-5-11/h4-7,15-16H,3,9H2,1-2H3,(H2,21,23)/t15?,16-/m0/s1