2-acetamido-2-phenylsulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-acetamido-2-phenylsulfanyl-cyclohexane-1-carboxylic acid Openeye Name: 2-acetamido-2-phenylsulfanyl-cyclohexanecarboxylic acid CAS Name: 2-acetamido-2-(phenylthio)-1-cyclohexanecarboxylic acid IUPAC Name: 2-acetamido-2-phenylsulfanylcyclohexane-1-carboxylic acid Traditional Name: 2-acetamido-2-(phenylthio)cyclohexanecarboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CCCCC1C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1(CCCCC1C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C15H19NO3S/c1-11(17)16-15(20-12-7-3-2-4-8-12)10-6-5-9-13(15)14(18)19/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17)(H,18,19)