O5-ethyl O3-methyl 2-(benzamidomethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-(benzamidomethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(benzamidomethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(benzamidomethylthio)methyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(benzamidomethylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(benzamidomethylthio)methyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C26H27ClN2O5S MolecularWeight: 515.02098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OC)CSCNC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OC)CSCNC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H27ClN2O5S/c1-4-34-26(32)21-16(2)29-20(14-35-15-28-24(30)17-9-6-5-7-10-17)23(25(31)33-3)22(21)18-11-8-12-19(27)13-18/h5-13,22,29H,4,14-15H2,1-3H3,(H,28,30)