[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanoate

Systemtic Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanoate Openeye Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]acetic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C28H27N3O7S MolecularWeight: 549.59488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)CNC3=NS(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)CNC3=NS(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O7S/c1-36-22-14-19-12-13-31(27(18-8-4-3-5-9-18)21(19)15-23(22)37-2)25(32)17-38-26(33)16-29-28-20-10-6-7-11-24(20)39(34,35)30-28/h3-11,14-15,27H,12-13,16-17H2,1-2H3,(H,29,30)