1-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[3-(methylsulfanylmethyl)benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[3-(methylsulfanylmethyl)benzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[3-[(methylthio)methyl]benzoyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NC2(CCCCC2)C(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-21-11-12-6-5-7-13(10-12)14(18)17-16(15(19)20)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3,(H,17,18)(H,19,20)