2-methoxyethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2Cl)C(=O)OCCOC

InChI

InChI=1S/C19H20ClN3O4S/c1-11-16(19(25)27-8-7-26-2)17(12-5-3-4-6-14(12)20)13(9-21)18(23-11)28-10-15(22)24/h3-6,17,23H,7-8,10H2,1-2H3,(H2,22,24)/t17-/m1/s1