[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C23H26O4S MolecularWeight: 398.51514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C23H26O4S/c1-26-22-14-19(28-2)12-13-20(22)23(25)27-15-21(24)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h8-14,16H,3-7,15H2,1-2H3