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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-24-14-9-12(15(25-2)8-11(14)19)21-18(23)10-3-4-16-13(7-10)20-17(22)5-6-26-16/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)(H,21,23)