N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxamide

Systemtic Name: N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxamide Openeye Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxamide CAS Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxamide IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxamide Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)NCCC3=CC(=C(C=C3)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)NCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H22N2O4S/c1-25-15-3-5-18-14(11-15)12-21(8-9-26-18)19(24)20-7-6-13-2-4-16(22)17(23)10-13/h2-5,10-11,22-23H,6-9,12H2,1H3,(H,20,24)