methyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-methyl-benzoate

Systemtic Name: methyl 2-[2-(cyanomethylsulfanyl)ethanoylamino]-5-methyl-benzoate Openeye Name: methyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-methyl-benzoate CAS Name: 2-[[2-(cyanomethylthio)-1-oxoethyl]amino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-methylbenzoate Traditional Name: 2-[[2-(cyanomethylthio)acetyl]amino]-5-methyl-benzoic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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