[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-2-(2-methoxyethylcarbamoylamino)ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

COCCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H19N3O5S/c1-27-9-8-21-20(26)23-18(24)12-28-19(25)14-11-16(17-7-4-10-29-17)22-15-6-3-2-5-13(14)15/h2-7,10-11H,8-9,12H2,1H3,(H2,21,23,24,26)