(phenylmethyl) 8-methoxy-5-(4-methoxyphenyl)-7-(phenylmethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: (phenylmethyl) 8-methoxy-5-(4-methoxyphenyl)-7-(phenylmethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: benzyl 7-benzylsulfanyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 8-methoxy-5-(4-methoxyphenyl)-7-(phenylmethylthio)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-benzylsulfanyl-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-(benzylthio)-8-methoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid benzyl ester Formula: C33H33NO4S MolecularWeight: 539.68442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)SCC4=CC=CC=C4)OC)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CCC3=CC(=C(C=C23)SCC4=CC=CC=C4)OC)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33NO4S/c1-36-28-15-13-26(14-16-28)30-21-34(33(35)38-22-24-9-5-3-6-10-24)18-17-27-19-31(37-2)32(20-29(27)30)39-23-25-11-7-4-8-12-25/h3-16,19-20,30H,17-18,21-23H2,1-2H3