methyl 3-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(benzofuran-2-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-benzofuranyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-benzofuran-2-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(benzofuran-2-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C14H14O4S MolecularWeight: 278.32356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1=CC2=CC=CC=C2O1

Isomeric SMILES

COC(=O)CCSCC(=O)C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C14H14O4S/c1-17-14(16)6-7-19-9-11(15)13-8-10-4-2-3-5-12(10)18-13/h2-5,8H,6-7,9H2,1H3