2-[[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]methoxysulfanyl]ethanoate

Systemtic Name: 2-[[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]methoxysulfanyl]ethanoate Openeye Name: 2-[[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl]methoxysulfanyl]acetate CAS Name: 2-[[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]methoxythio]acetate IUPAC Name: 2-[[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl]methoxysulfanyl]acetate Traditional Name: 2-[[2-[(1-isoamylcyclohexanecarbonyl)amino]benzyl]oxythio]acetate Formula: C21H30NO4S- MolecularWeight: 392.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2COSCC(=O)[O-]

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2COSCC(=O)[O-]

InChI

InChI=1S/C21H31NO4S/c1-16(2)10-13-21(11-6-3-7-12-21)20(25)22-18-9-5-4-8-17(18)14-26-27-15-19(23)24/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,22,25)(H,23,24)/p-1