[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H21N3O4S/c30-24(29-21-9-4-2-7-18(21)25(31)27-16-11-12-16)15-33-26(32)19-14-22(23-10-5-13-34-23)28-20-8-3-1-6-17(19)20/h1-10,13-14,16H,11-12,15H2,(H,27,31)(H,29,30)