3-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-methoxycarbonyl-2-furanyl)methylthio]propanoic acid IUPAC Name: 3-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(5-carbomethoxy-2-furyl)methylthio]propionic acid Formula: C10H12O5S MolecularWeight: 244.26428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSCCC(=O)O

InChI

InChI=1S/C10H12O5S/c1-14-10(13)8-3-2-7(15-8)6-16-5-4-9(11)12/h2-3H,4-6H2,1H3,(H,11,12)