methyl 2-[1-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-3-sulfanyl-pentanoate

Systemtic Name: methyl 2-[1-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-3-sulfanyl-pentanoate Openeye Name: methyl 2-[1-(2,4-dichlorophenyl)ethyl]-4-oxo-3-sulfanyl-pentanoate CAS Name: 2-[1-(2,4-dichlorophenyl)ethyl]-3-mercapto-4-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[1-(2,4-dichlorophenyl)ethyl]-4-oxo-3-sulfanylpentanoate Traditional Name: 2-[1-(2,4-dichlorophenyl)ethyl]-4-keto-3-mercapto-valeric acid methyl ester Formula: C14H16Cl2O3S MolecularWeight: 335.24604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl2O3S/c1-7(10-5-4-9(15)6-11(10)16)12(14(18)19-3)13(20)8(2)17/h4-7,12-13,20H,1-3H3