1-[2-(cyanomethylsulfanyl)ethanoylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylsulfanyl)ethanoylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[2-(cyanomethylsulfanyl)acetyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[2-(cyanomethylthio)-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[2-(cyanomethylsulfanyl)acetyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(cyanomethylthio)acetyl]amino]cycloheptanecarboxylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)CSCC#N

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)CSCC#N

InChI

InChI=1S/C12H18N2O3S/c13-7-8-18-9-10(15)14-12(11(16)17)5-3-1-2-4-6-12/h1-6,8-9H2,(H,14,15)(H,16,17)