(1S,2S)-2-[(4-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[(4-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[(4-methylsulfanylphenyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[4-(methylthio)anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[(4-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[[4-(methylthio)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h6-9,12-13H,2-5H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1