3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-ethoxyphenyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[(2-keto-2-p-phenetyl-ethyl)thio]propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CSCCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H16O4S/c1-2-17-11-5-3-10(4-6-11)12(14)9-18-8-7-13(15)16/h3-6H,2,7-9H2,1H3,(H,15,16)