4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-3-methyl-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide

Systemtic Name: 4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-3-methyl-5-oxidanylidene-2H-1,4-benzothiazepine-3-carboxamide Openeye Name: 4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide CAS Name: 4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide IUPAC Name: 4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide Traditional Name: 4-[2-(1H-indol-3-yl)ethyl]-5-keto-N-(4-methoxyphenyl)-3-methyl-2H-1,4-benzothiazepine-3-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C(=O)N1CCC3=CNC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC

Isomeric SMILES

CC1(CSC2=CC=CC=C2C(=O)N1CCC3=CNC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H27N3O3S/c1-28(27(33)30-20-11-13-21(34-2)14-12-20)18-35-25-10-6-4-8-23(25)26(32)31(28)16-15-19-17-29-24-9-5-3-7-22(19)24/h3-14,17,29H,15-16,18H2,1-2H3,(H,30,33)