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

Systemtic Name: 2-methoxyethyl (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-5-cyano-2-methyl-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[[2-(benzylamino)-2-keto-ethyl]thio]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methoxyethyl ester Formula: C26H26ClN3O4S MolecularWeight: 512.02034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCCOC

InChI

InChI=1S/C26H26ClN3O4S/c1-17-23(26(32)34-13-12-33-2)24(19-8-10-20(27)11-9-19)21(14-28)25(30-17)35-16-22(31)29-15-18-6-4-3-5-7-18/h3-11,24,30H,12-13,15-16H2,1-2H3,(H,29,31)/t24-/m1/s1