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

Systemtic Name: methyl 3-[2-(cyanomethylsulfanyl)ethanoylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(cyanomethylthio)-1-oxoethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyanomethylsulfanyl)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(cyanomethylthio)acetyl]amino]-2-methyl-benzoic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCC#N)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCC#N)C(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-9-10(13(17)18-2)4-3-5-11(9)15-12(16)8-19-7-6-14/h3-5H,7-8H2,1-2H3,(H,15,16)