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

Systemtic Name: 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-ethoxycarbonyl-2-furyl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-ethoxycarbonyl-2-furanyl)methylthio]propanoic acid IUPAC Name: 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(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)CSC(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H14O5S/c1-3-15-11(14)8-4-5-16-9(8)6-17-7(2)10(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)