(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl) 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoate

Systemtic Name: (1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl) 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoate Openeye Name: (1-methoxycarbonyl-3-methylsulfanyl-propyl) 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoate CAS Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoic acid [1-methoxy-4-(methylthio)-1-oxobutan-2-yl] ester IUPAC Name: (1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl) 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoate Traditional Name: 4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoic acid [1-carbomethoxy-3-(methylthio)propyl] ester Formula: C33H47NO4S MolecularWeight: 553.79558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)OC(CCSC)C(=O)OC)C3=CC=CC=C3C

Isomeric SMILES

CCCCN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)OC(CCSC)C(=O)OC)C3=CC=CC=C3C

InChI

InChI=1S/C33H47NO4S/c1-5-6-20-34(21-18-26-13-8-7-9-14-26)24-27-16-17-29(30(23-27)28-15-11-10-12-25(28)2)32(35)38-31(19-22-39-4)33(36)37-3/h10-12,15-17,23,26,31H,5-9,13-14,18-22,24H2,1-4H3