1-[2-(cyanomethylsulfanyl)ethanoylamino]-4-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoylamino]-4-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(cyanomethylthio)acetyl]amino]-4-methyl-cyclohexanecarboxylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C12H18N2O3S/c1-9-2-4-12(5-3-9,11(16)17)14-10(15)8-18-7-6-13/h9H,2-5,7-8H2,1H3,(H,14,15)(H,16,17)