2-[[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl]methoxysulfanyl]ethanoic acid

Systemtic Name: 2-[[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl]methoxysulfanyl]ethanoic acid Openeye Name: 2-[[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl]methoxysulfanyl]acetic acid CAS Name: 2-[[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]methoxythio]acetic acid IUPAC Name: 2-[[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl]methoxysulfanyl]acetic acid Traditional Name: 2-[[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]benzyl]oxythio]acetic acid Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2COSCC(=O)O

Isomeric SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2COSCC(=O)O

InChI

InChI=1S/C22H33NO4S/c1-3-17(4-2)14-22(12-8-5-9-13-22)21(26)23-19-11-7-6-10-18(19)15-27-28-16-20(24)25/h6-7,10-11,17H,3-5,8-9,12-16H2,1-2H3,(H,23,26)(H,24,25)