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

Systemtic Name: 5-[(3-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(3-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(3-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(3-chlorobenzyl)-N-(4-ethoxybenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H25ClN2O3S MolecularWeight: 529.0491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H25ClN2O3S/c1-2-36-24-13-10-20(11-14-24)18-32-29(34)22-12-15-28-26(17-22)33(19-21-6-5-7-23(31)16-21)30(35)25-8-3-4-9-27(25)37-28/h3-17H,2,18-19H2,1H3,(H,32,34)