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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-27-17-8-7-13(11-15(17)22)23-20(25)12-6-9-19-16(10-12)24-21(26)14-4-2-3-5-18(14)28-19/h2-11H,1H3,(H,23,25)(H,24,26)