tert-butyl 4-cyclohexyl-2-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methyl]butanoate

Systemtic Name: tert-butyl 4-cyclohexyl-2-[[4-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methyl]butanoate Openeye Name: tert-butyl 4-cyclohexyl-2-[[4-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoyl]-3-(o-tolyl)phenyl]methyl]butanoate CAS Name: 4-cyclohexyl-2-[[4-[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3-(2-methylphenyl)phenyl]methyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyclohexyl-2-[[4-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]-3-(2-methylphenyl)phenyl]methyl]butanoate Traditional Name: 2-[4-[[1-carbomethoxy-3-(methylthio)propyl]carbamoyl]-3-(o-tolyl)benzyl]-4-cyclohexyl-butyric acid tert-butyl ester Formula: C35H49NO5S MolecularWeight: 595.83226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H49NO5S/c1-24-12-10-11-15-28(24)30-23-26(17-19-29(30)32(37)36-31(20-21-42-6)34(39)40-5)22-27(33(38)41-35(2,3)4)18-16-25-13-8-7-9-14-25/h10-12,15,17,19,23,25,27,31H,7-9,13-14,16,18,20-22H2,1-6H3,(H,36,37)