2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)-N-phenethyl-ethanamide

Systemtic Name: 2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)-N-phenethyl-ethanamide Openeye Name: 2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-phenethyl-acetamide CAS Name: 2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]-N-phenethylacetamide IUPAC Name: 2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-phenethylacetamide Traditional Name: 2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-phenethyl-acetamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c32-26(29-15-14-20-8-2-1-3-9-20)19-31-23-18-21(27(33)30-16-6-7-17-30)12-13-25(23)35-24-11-5-4-10-22(24)28(31)34/h1-5,8-13,18H,6-7,14-17,19H2,(H,29,32)