methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]benzoate hydrochloride

Systemtic Name: methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]benzoate hydrochloride Openeye Name: methyl 4,5-dimethoxy-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]benzoate hydrochloride CAS Name: 4,5-dimethoxy-2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate hydrochloride Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)quinoline-4-carbonyl]amino]benzoic acid methyl ester hydrochloride Formula: C24H21ClN2O5S MolecularWeight: 484.95194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)OC.Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)OC.Cl

InChI

InChI=1S/C24H20N2O5S.ClH/c1-29-20-12-16(24(28)31-3)18(13-21(20)30-2)26-23(27)15-11-19(22-9-6-10-32-22)25-17-8-5-4-7-14(15)17;/h4-13H,1-3H3,(H,26,27);1H