2-[4-methyl-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]sulfanylethanoate

Systemtic Name: 2-[4-methyl-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]sulfanylethanoate Openeye Name: 2-[2-[(1-isopentylcyclohexanecarbonyl)amino]-4-methyl-phenyl]sulfanylacetate CAS Name: 2-[[4-methyl-2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]thio]acetate IUPAC Name: 2-[4-methyl-2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl]sulfanylacetate Traditional Name: 2-[[2-[(1-isoamylcyclohexanecarbonyl)amino]-4-methyl-phenyl]thio]acetate Formula: C21H30NO3S- MolecularWeight: 376.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)[O-])NC(=O)C2(CCCCC2)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)[O-])NC(=O)C2(CCCCC2)CCC(C)C

InChI

InChI=1S/C21H31NO3S/c1-15(2)9-12-21(10-5-4-6-11-21)20(25)22-17-13-16(3)7-8-18(17)26-14-19(23)24/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,22,25)(H,23,24)/p-1