[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[[4-(2-chlorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[[4-(2-chlorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[[4-(2-chlorophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H14ClN3O3S/c22-15-7-3-2-6-14(15)18-12-29-21(24-18)25-19(26)11-28-20(27)17-10-9-13-5-1-4-8-16(13)23-17/h1-10,12H,11H2,(H,24,25,26)