2-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl]sulfanylacetic acid CAS Name: 2-[[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl]thio]acetic acid Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC(=O)O

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SCC(=O)O

InChI

InChI=1S/C20H29NO3S/c1-15(2)10-13-20(11-6-3-7-12-20)19(24)21-16-8-4-5-9-17(16)25-14-18(22)23/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,21,24)(H,22,23)