[1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [1-[[2,3-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,3-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2,3-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H16Cl2N2O3S MolecularWeight: 471.35574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H16Cl2N2O3S/c1-13(22(28)27-18-9-4-7-16(24)21(18)25)30-23(29)15-12-19(20-10-5-11-31-20)26-17-8-3-2-6-14(15)17/h2-13H,1H3,(H,27,28)