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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-6-keto-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCCC4=CC=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C31H28N2O3S/c1-2-36-25-15-12-23(13-16-25)21-33-27-20-24(30(34)32-19-18-22-8-4-3-5-9-22)14-17-29(27)37-28-11-7-6-10-26(28)31(33)35/h3-17,20H,2,18-19,21H2,1H3,(H,32,34)