N-(3-ethoxypropyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-ethoxypropyl)-6-keto-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C

InChI

InChI=1S/C27H28N2O3S/c1-3-32-16-8-15-28-26(30)20-13-14-25-23(17-20)29(18-21-10-5-4-9-19(21)2)27(31)22-11-6-7-12-24(22)33-25/h4-7,9-14,17H,3,8,15-16,18H2,1-2H3,(H,28,30)