[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C23H16Br2N2O3S MolecularWeight: 560.25774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16Br2N2O3S/c1-13-9-16(24)22(17(25)10-13)27-21(28)12-30-23(29)15-11-19(20-7-4-8-31-20)26-18-6-3-2-5-14(15)18/h2-11H,12H2,1H3,(H,27,28)