ethyl 4-(4-chlorophenyl)-4-oxidanylidene-2-sulfanyl-butanoate

Systemtic Name: ethyl 4-(4-chlorophenyl)-4-oxidanylidene-2-sulfanyl-butanoate Openeye Name: ethyl 4-(4-chlorophenyl)-4-oxo-2-sulfanyl-butanoate CAS Name: 4-(4-chlorophenyl)-2-mercapto-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-4-oxo-2-sulfanylbutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-2-mercapto-butyric acid ethyl ester Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3S/c1-2-16-12(15)11(17)7-10(14)8-3-5-9(13)6-4-8/h3-6,11,17H,2,7H2,1H3