methyl 4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(cyanomethylthio)acetyl]amino]benzoic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC#N

InChI

InChI=1S/C12H12N2O3S/c1-17-12(16)9-2-4-10(5-3-9)14-11(15)8-18-7-6-13/h2-5H,7-8H2,1H3,(H,14,15)