[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-11(2)22-20(27)24-18(25)10-28-19(26)13-9-15(16-7-8-17(21)29-16)23-14-6-4-3-5-12(13)14/h3-9,11H,10H2,1-2H3,(H2,22,24,25,27)