2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3-methoxycarbonyl-2-furyl)methylsulfanyl]acetic acid CAS Name: 2-[(3-methoxycarbonyl-2-furanyl)methylthio]acetic acid IUPAC Name: 2-[(3-methoxycarbonylfuran-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3-carbomethoxy-2-furyl)methylthio]acetic acid Formula: C9H10O5S MolecularWeight: 230.2377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CSCC(=O)O

Isomeric SMILES

COC(=O)C1=C(OC=C1)CSCC(=O)O

InChI

InChI=1S/C9H10O5S/c1-13-9(12)6-2-3-14-7(6)4-15-5-8(10)11/h2-3H,4-5H2,1H3,(H,10,11)