methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxidanylidene-4-sulfanyl-pentanoate

Systemtic Name: methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxidanylidene-4-sulfanyl-pentanoate Openeye Name: methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanyl-pentanoate CAS Name: 2-(2,4-dichlorophenyl)-4-mercapto-4-methyl-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanylpentanoate Traditional Name: 2-(2,4-dichlorophenyl)-3-keto-4-mercapto-4-methyl-valeric acid methyl ester Formula: C13H14Cl2O3S MolecularWeight: 321.21946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(C1=C(C=C(C=C1)Cl)Cl)C(=O)OC)S

Isomeric SMILES

CC(C)(C(=O)C(C1=C(C=C(C=C1)Cl)Cl)C(=O)OC)S

InChI

InChI=1S/C13H14Cl2O3S/c1-13(2,19)11(16)10(12(17)18-3)8-5-4-7(14)6-9(8)15/h4-6,10,19H,1-3H3