ethyl 3-(2-chloranyl-5-sulfanyl-phenyl)-2-methyl-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2-chloranyl-5-sulfanyl-phenyl)-2-methyl-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-chloro-5-sulfanyl-phenyl)-2-methyl-3-oxo-propanoate CAS Name: 3-(2-chloro-5-mercaptophenyl)-2-methyl-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-chloro-5-sulfanylphenyl)-2-methyl-3-oxopropanoate Traditional Name: 3-(2-chloro-5-mercapto-phenyl)-3-keto-2-methyl-propionic acid ethyl ester Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3S/c1-3-16-12(15)7(2)11(14)9-6-8(17)4-5-10(9)13/h4-7,17H,3H2,1-2H3