[2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(3-carbethoxy-4-ethyl-5-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C22H22N2O5S/c1-4-15-13(3)30-20(19(15)22(27)28-5-2)24-18(25)12-29-21(26)17-11-10-14-8-6-7-9-16(14)23-17/h6-11H,4-5,12H2,1-3H3,(H,24,25)