1-(2-phenylsulfanylethanoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-(2-phenylsulfanylethanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 1-[(2-phenylsulfanylacetyl)amino]cyclohexanecarboxylic acid CAS Name: 1-[[1-oxo-2-(phenylthio)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(2-phenylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[2-(phenylthio)acetyl]amino]cyclohexanecarboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C15H19NO3S/c17-13(11-20-12-7-3-1-4-8-12)16-15(14(18)19)9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17)(H,18,19)