methyl 3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C15H20O3S MolecularWeight: 280.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SCCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SCCC(=O)OC

InChI

InChI=1S/C15H20O3S/c1-4-12-5-7-13(8-6-12)15(17)11(2)19-10-9-14(16)18-3/h5-8,11H,4,9-10H2,1-3H3