[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)SCC(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H16N4O3S2/c21-9-10-28-17-8-4-3-7-16(17)23-18(25)12-27-20(26)13-29-19-11-22-14-5-1-2-6-15(14)24-19/h1-8,11H,10,12-13H2,(H,23,25)