[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H24N2O6S/c1-31-20-12-18(19(13-21(20)32-2)26-24(29)22-8-5-11-34-22)25(30)33-15-23(28)27-10-9-16-6-3-4-7-17(16)14-27/h3-8,11-13H,9-10,14-15H2,1-2H3,(H,26,29)