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

Systemtic Name: (1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl) 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzoate Openeye Name: (1-methoxycarbonyl-3-methylsulfanyl-propyl) 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzoate CAS Name: 4-[[2-cyclohexylethyl(methyl)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-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(2-methylphenyl)benzoate Traditional Name: 4-[[2-cyclohexylethyl(methyl)amino]methyl]-2-(o-tolyl)benzoic acid [1-carbomethoxy-3-(methylthio)propyl] ester Formula: C30H41NO4S MolecularWeight: 511.71584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CCC3CCCCC3)C(=O)OC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)CCC3CCCCC3)C(=O)OC(CCSC)C(=O)OC

InChI

InChI=1S/C30H41NO4S/c1-22-10-8-9-13-25(22)27-20-24(21-31(2)18-16-23-11-6-5-7-12-23)14-15-26(27)29(32)35-28(17-19-36-4)30(33)34-3/h8-10,13-15,20,23,28H,5-7,11-12,16-19,21H2,1-4H3