N-butan-2-yl-5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butan-2-yl-5-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-6-oxo-N-sec-butyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butan-2-yl-5-[(4-ethoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butan-2-yl-5-[(4-ethoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-6-keto-N-sec-butyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)OCC

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)OCC

InChI

InChI=1S/C27H28N2O3S/c1-4-18(3)28-26(30)20-12-15-25-23(16-20)29(17-19-10-13-21(14-11-19)32-5-2)27(31)22-8-6-7-9-24(22)33-25/h6-16,18H,4-5,17H2,1-3H3,(H,28,30)