[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C29H37NO7S MolecularWeight: 543.67158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C29H37NO7S/c1-34-25-16-22(17-26(35-2)27(25)36-3)28(32)30-23(14-15-38-4)29(33)37-18-24(31)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h10-13,16-17,19,23H,5-9,14-15,18H2,1-4H3,(H,30,32)