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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-23-14-4-3-11(9-12(14)18)19-17(22)10-2-5-15-13(8-10)20-16(21)6-7-24-15/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,21)