[1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3,5-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=CC(=CC(=C1)Cl)Cl)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

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

InChI

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