7-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4)OC

InChI

InChI=1S/C21H22N2O4S/c1-26-17-10-13-5-7-23(12-15(13)11-18(17)27-2)21(25)14-3-4-19-16(9-14)22-20(24)6-8-28-19/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,24)