N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H17ClN2O3S/c1-10-7-13(15(24-2)9-12(10)19)21-18(23)11-3-4-16-14(8-11)20-17(22)5-6-25-16/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)(H,21,23)