3-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-ethoxycarbonyl-2-furyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-ethoxycarbonyl-2-furanyl)methylthio]propanoic acid IUPAC Name: 3-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-carbethoxy-2-furyl)methylthio]propionic acid Formula: C11H14O5S MolecularWeight: 258.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSCCC(=O)O

InChI

InChI=1S/C11H14O5S/c1-2-15-11(14)8-3-5-16-9(8)7-17-6-4-10(12)13/h3,5H,2,4,6-7H2,1H3,(H,12,13)