methyl 3-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(cyanomethylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[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(=CC=C1)NC(=O)CSCC#N

Isomeric SMILES

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

InChI

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