[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] ester Formula: C27H20N4O3S MolecularWeight: 480.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H20N4O3S/c1-17-6-8-18(9-7-17)24-16-35-27(30-24)31-25(32)15-34-26(33)21-14-23(19-10-12-28-13-11-19)29-22-5-3-2-4-20(21)22/h2-14,16H,15H2,1H3,(H,30,31,32)