cyanomethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: cyanomethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: cyanomethyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]acetic acid cyanomethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)OCC#N

InChI

InChI=1S/C13H14N2O3S/c1-10-2-4-11(5-3-10)15-12(16)8-19-9-13(17)18-7-6-14/h2-5H,7-9H2,1H3,(H,15,16)