2-[methyl-(phenylmethyl)amino]ethyl 4-(2-chlorophenyl)-5,5-bis(oxidanylidene)-2-phenyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate

Systemtic Name: 2-[methyl-(phenylmethyl)amino]ethyl 4-(2-chlorophenyl)-5,5-bis(oxidanylidene)-2-phenyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate Openeye Name: 2-[benzyl(methyl)amino]ethyl 4-(2-chlorophenyl)-5,5-dioxo-2-phenyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5,5-dioxo-2-phenyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl(methyl)amino]ethyl 4-(2-chlorophenyl)-5,5-dioxo-2-phenyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-5,5-diketo-2-phenyl-1,4,6,7,8,9-hexahydrothiepino[3,2-b]pyridine-3-carboxylic acid 2-[benzyl(methyl)amino]ethyl ester Formula: C32H33ClN2O4S MolecularWeight: 577.13342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Cl)S(=O)(=O)CCCC2)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN(CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Cl)S(=O)(=O)CCCC2)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C32H33ClN2O4S/c1-35(22-23-12-4-2-5-13-23)19-20-39-32(36)29-28(25-16-8-9-17-26(25)33)31-27(18-10-11-21-40(31,37)38)34-30(29)24-14-6-3-7-15-24/h2-9,12-17,28,34H,10-11,18-22H2,1H3