[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N)N=C1C

InChI

InChI=1S/C21H18N4O3S/c1-13-14(2)24-18-11-15(7-8-16(18)23-13)21(27)28-12-20(26)25-17-5-3-4-6-19(17)29-10-9-22/h3-8,11H,10,12H2,1-2H3,(H,25,26)