[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C25H20ClN3O4S/c1-14(24(31)28-17-9-7-16(8-10-17)27-15(2)30)33-25(32)19-13-21(22-11-12-23(26)34-22)29-20-6-4-3-5-18(19)20/h3-14H,1-2H3,(H,27,30)(H,28,31)