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

Systemtic Name: N-(4-ethoxyphenyl)-2-(6-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide CAS Name: N-(4-ethoxyphenyl)-2-[6-oxo-3-[oxo(1-pyrrolidinyl)methyl]-5-benzo[b][1,4]benzothiazepinyl]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]acetamide Traditional Name: 2-[6-keto-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-5-yl]-N-p-phenetyl-acetamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H27N3O4S/c1-2-35-21-12-10-20(11-13-21)29-26(32)18-31-23-17-19(27(33)30-15-5-6-16-30)9-14-25(23)36-24-8-4-3-7-22(24)28(31)34/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,29,32)