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

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoylamino]-4-ethyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-ethyl-cyclohexanecarboxylic acid CAS Name: 1-[[2-(cyanomethylthio)-1-oxoethyl]amino]-4-ethyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[2-(cyanomethylsulfanyl)acetyl]amino]-4-ethylcyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(cyanomethylthio)acetyl]amino]-4-ethyl-cyclohexanecarboxylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

CCC1CCC(CC1)(C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C13H20N2O3S/c1-2-10-3-5-13(6-4-10,12(17)18)15-11(16)9-19-8-7-14/h10H,2-6,8-9H2,1H3,(H,15,16)(H,17,18)