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

Systemtic Name: cyanomethyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: cyanomethyl 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetic acid cyanomethyl ester Formula: C12H11ClN2O3S MolecularWeight: 298.74534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCC(=O)OCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCC(=O)OCC#N)Cl

InChI

InChI=1S/C12H11ClN2O3S/c13-9-1-3-10(4-2-9)15-11(16)7-19-8-12(17)18-6-5-14/h1-4H,6-8H2,(H,15,16)