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

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H20N2O5S/c1-2-28-22(27)19-15(13-7-8-13)12-30-20(19)24-18(25)11-29-21(26)17-10-9-14-5-3-4-6-16(14)23-17/h3-6,9-10,12-13H,2,7-8,11H2,1H3,(H,24,25)