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

Systemtic Name: [2-oxidanylidene-2-[[2-(propan-2-ylcarbamoyl)phenyl]amino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[2-(isopropylcarbamoyl)anilino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-[2-[oxo-(propan-2-ylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(propan-2-ylcarbamoyl)anilino]ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[2-(isopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C)NC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C26H23N3O4S/c1-16(2)27-25(31)18-9-4-6-11-21(18)29-24(30)15-33-26(32)19-14-22(23-12-7-13-34-23)28-20-10-5-3-8-17(19)20/h3-14,16H,15H2,1-2H3,(H,27,31)(H,29,30)