dimethyl 2-[2-[2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoyloxy]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoyloxy]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]oxyacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[1-oxo-2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethoxy]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]oxyacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]oxyacetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H26N2O9S2 MolecularWeight: 586.63334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C27H26N2O9S2/c1-36-26(32)18-9-10-20(27(33)37-2)21(14-18)28-23(30)16-38-24(31)15-22-19-7-4-3-6-17(19)11-12-29(22)40(34,35)25-8-5-13-39-25/h3-10,13-14,22H,11-12,15-16H2,1-2H3,(H,28,30)