[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C22H23ClO3S MolecularWeight: 402.93422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C22H23ClO3S/c1-27-18-11-12-20(23)19(13-18)22(25)26-14-21(24)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6,14H2,1H3