methyl 3-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-chlorophenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-chlorophenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-chlorophenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3-chlorophenyl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H13ClO3S MolecularWeight: 272.74782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

COC(=O)CCSCC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H13ClO3S/c1-16-12(15)5-6-17-8-11(14)9-3-2-4-10(13)7-9/h2-4,7H,5-6,8H2,1H3