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

Systemtic Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H20BrN3O3S/c1-3-18-14(2)22(17-6-4-5-7-19(17)26-18)23(30)31-12-21(29)28-24-27-20(13-32-24)15-8-10-16(25)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,27,28,29)