[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C23H16ClN3O4S/c24-20-10-9-19(32-20)18-11-16(15-3-1-2-4-17(15)27-18)23(30)31-12-21(28)26-14-7-5-13(6-8-14)22(25)29/h1-11H,12H2,(H2,25,29)(H,26,28)