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

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C28H20BrN3O3S MolecularWeight: 558.4457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=NC(=CS4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H20BrN3O3S/c1-17-25(21-12-5-6-13-22(21)30-26(17)18-8-3-2-4-9-18)27(34)35-15-24(33)32-28-31-23(16-36-28)19-10-7-11-20(29)14-19/h2-14,16H,15H2,1H3,(H,31,32,33)