2-(ethanoylsulfanylmethyl)-3-(4-ethoxyphenyl)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(4-ethoxyphenyl)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-ethoxyphenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-ethoxyphenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-ethoxyphenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-p-phenetyl-propionic acid Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-3-18-13-6-4-11(5-7-13)8-12(14(16)17)9-19-10(2)15/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)