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

Systemtic Name: 4-methyl-1-(2-phenylsulfanylethanoylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[(2-phenylsulfanylacetyl)amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[1-oxo-2-(phenylthio)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[(2-phenylsulfanylacetyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[2-(phenylthio)acetyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c1-12-7-9-16(10-8-12,15(19)20)17-14(18)11-21-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,17,18)(H,19,20)