dimethyl 3-methyl-5-[2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyloxy]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyloxy]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxyacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[oxo-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methoxy]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]oxyacetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H24N2O9S3 MolecularWeight: 592.66106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C25H24N2O9S3/c1-14-20(24(30)34-2)22(38-21(14)25(31)35-3)26-18(28)13-36-23(29)17-11-15-7-4-5-8-16(15)12-27(17)39(32,33)19-9-6-10-37-19/h4-10,17H,11-13H2,1-3H3,(H,26,28)