[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C23H17BrN2O3S MolecularWeight: 481.36168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)Br

InChI

InChI=1S/C23H17BrN2O3S/c1-14-11-15(8-9-18(14)24)25-22(27)13-29-23(28)17-12-20(21-7-4-10-30-21)26-19-6-3-2-5-16(17)19/h2-12H,13H2,1H3,(H,25,27)