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

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-N-(4-methylcyclohexyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-ethoxyphenyl)methyl]-N-(4-methylcyclohexyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-ethoxyphenyl)methyl]-N-(4-methylcyclohexyl)-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-N-(4-methylcyclohexyl)-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-ethoxybenzyl)-6-keto-N-(4-methylcyclohexyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H32N2O3S MolecularWeight: 500.65168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCC(CC4)C)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NC4CCC(CC4)C)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C30H32N2O3S/c1-3-35-24-15-10-21(11-16-24)19-32-26-18-22(29(33)31-23-13-8-20(2)9-14-23)12-17-28(26)36-27-7-5-4-6-25(27)30(32)34/h4-7,10-12,15-18,20,23H,3,8-9,13-14,19H2,1-2H3,(H,31,33)