N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H17ClN2O4S MolecularWeight: 440.89938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)Cl)OC

InChI

InChI=1S/C22H17ClN2O4S/c1-28-17-11-18(29-2)15(10-14(17)23)24-21(26)12-7-8-20-16(9-12)25-22(27)13-5-3-4-6-19(13)30-20/h3-11H,1-2H3,(H,24,26)(H,25,27)