5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-N-piperidin-4-ylcarbonyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-N-piperidin-4-ylcarbonyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-(piperidine-4-carbonyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-[oxo(4-piperidinyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-(piperidine-4-carbonyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-N-isonipecotoyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC(=O)C4CCNCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC(=O)C4CCNCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C29H29N3O4S/c1-2-36-22-10-7-19(8-11-22)18-32-24-17-21(28(34)31-27(33)20-13-15-30-16-14-20)9-12-26(24)37-25-6-4-3-5-23(25)29(32)35/h3-12,17,20,30H,2,13-16,18H2,1H3,(H,31,33,34)