4-methyl-1-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[[2-(2-thienylmethylsulfanyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[2-(2-thenylthio)acetyl]amino]cyclohexanecarboxylic acid Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)CSCC2=CC=CS2

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)CSCC2=CC=CS2

InChI

InChI=1S/C15H21NO3S2/c1-11-4-6-15(7-5-11,14(18)19)16-13(17)10-20-9-12-3-2-8-21-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,16,17)(H,18,19)