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

Systemtic Name: 2-[(4-methoxycarbonyl-5-methyl-furan-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-methoxycarbonyl-5-methyl-2-furyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-methoxycarbonyl-5-methyl-2-furanyl)methylthio]acetic acid IUPAC Name: 2-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-carbomethoxy-5-methyl-2-furyl)methylthio]acetic acid Formula: C10H12O5S MolecularWeight: 244.26428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O5S/c1-6-8(10(13)14-2)3-7(15-6)4-16-5-9(11)12/h3H,4-5H2,1-2H3,(H,11,12)