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

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenyl-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3,5-dichloroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H18Cl2N2O3S MolecularWeight: 533.42512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C28H18Cl2N2O3S/c29-18-13-19(30)15-20(14-18)31-27(33)26(17-7-2-1-3-8-17)35-28(34)22-16-24(25-11-6-12-36-25)32-23-10-5-4-9-21(22)23/h1-16,26H,(H,31,33)