1-azanyl-2-(phenylmethylsulfanyl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-(phenylmethylsulfanyl)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-benzylsulfanyl-cyclohexanecarboxylic acid CAS Name: 1-amino-2-(phenylmethylthio)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-benzylsulfanylcyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-(benzylthio)cyclohexanecarboxylic acid Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)SCC2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

C1CCC(C(C1)SCC2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C14H19NO2S/c15-14(13(16)17)9-5-4-8-12(14)18-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,17)