3-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-methoxycarbonyl-5-methyl-2-furyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-methoxycarbonyl-5-methyl-2-furanyl)methylthio]propanoic acid IUPAC Name: 3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-carbomethoxy-5-methyl-2-furyl)methylthio]propionic acid Formula: C11H14O5S MolecularWeight: 258.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSCCC(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSCCC(=O)O)C(=O)OC

InChI

InChI=1S/C11H14O5S/c1-7-9(11(14)15-2)5-8(16-7)6-17-4-3-10(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)