[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CSC1=NC2=CC=CC=C2N=C1

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CSC1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C16H16N4O3S/c1-20(8-4-7-17)15(21)10-23-16(22)11-24-14-9-18-12-5-2-3-6-13(12)19-14/h2-3,5-6,9H,4,8,10-11H2,1H3