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

Systemtic Name: 7-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H26N2O4S/c1-32-22-15-18-10-12-29(26(17-6-4-3-5-7-17)20(18)16-23(22)33-2)27(31)19-8-9-24-21(14-19)28-25(30)11-13-34-24/h3-9,14-16,26H,10-13H2,1-2H3,(H,28,30)