2-azanyl-5-phenylsulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-azanyl-5-phenylsulfanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-amino-5-phenylsulfanyl-cyclohexanecarboxylic acid CAS Name: 2-amino-5-(phenylthio)-1-cyclohexanecarboxylic acid IUPAC Name: 2-amino-5-phenylsulfanylcyclohexane-1-carboxylic acid Traditional Name: 2-amino-5-(phenylthio)cyclohexanecarboxylic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1SC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

C1CC(C(CC1SC2=CC=CC=C2)C(=O)O)N

InChI

InChI=1S/C13H17NO2S/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-5,10-12H,6-8,14H2,(H,15,16)