[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-24(10-4-9-22)19(25)12-27-20(26)14-11-16(17-7-8-18(21)28-17)23-15-6-3-2-5-13(14)15/h2-3,5-8,11H,4,10,12H2,1H3