[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C23H16Cl2N2O3S MolecularWeight: 471.35574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H16Cl2N2O3S/c24-15-8-7-14(18(25)10-15)12-26-22(28)13-30-23(29)17-11-20(21-6-3-9-31-21)27-19-5-2-1-4-16(17)19/h1-11H,12-13H2,(H,26,28)