methyl 3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C14H18O3S/c1-10-4-5-11(2)12(8-10)13(15)9-18-7-6-14(16)17-3/h4-5,8H,6-7,9H2,1-3H3