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

Systemtic Name: 2-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl]sulfanylacetic acid CAS Name: 2-[[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl]thio]acetic acid Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC(=O)O

Isomeric SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC(=O)O

InChI

InChI=1S/C21H31NO3S/c1-3-16(4-2)14-21(12-8-5-9-13-21)20(25)22-17-10-6-7-11-18(17)26-15-19(23)24/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3,(H,22,25)(H,23,24)