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

Systemtic Name: 2-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-methoxycarbonyl-5-methyl-2-furyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-methoxycarbonyl-5-methyl-2-furanyl)methylthio]propanoic acid IUPAC Name: 2-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(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)CSC(C)C(=O)O)C(=O)OC

Isomeric SMILES

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

InChI

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