2-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]-2-phenoxy-ethanethioic S-acid

Systemtic Name: 2-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]-2-phenoxy-ethanethioic S-acid Openeye Name: 2-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl]-2-phenoxy-ethanethioic S-acid CAS Name: 2-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]-2-phenoxyethanethioic S-acid IUPAC Name: 2-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl]-2-phenoxyethanethioic S-acid Traditional Name: 2-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl]-2-phenoxy-thioacetic acid Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2C(C(=O)S)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2C(C(=O)S)OC3=CC=CC=C3

InChI

InChI=1S/C26H33NO3S/c1-19(2)15-18-26(16-9-4-10-17-26)25(29)27-22-14-8-7-13-21(22)23(24(28)31)30-20-11-5-3-6-12-20/h3,5-8,11-14,19,23H,4,9-10,15-18H2,1-2H3,(H,27,29)(H,28,31)