5-methoxycarbonyl-3-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: 5-methoxycarbonyl-3-methylsulfanyl-thiophene-2-carboxylate Openeye Name: 5-methoxycarbonyl-3-methylsulfanyl-thiophene-2-carboxylate CAS Name: 5-methoxycarbonyl-3-(methylthio)-2-thiophenecarboxylate IUPAC Name: 5-methoxycarbonyl-3-methylsulfanylthiophene-2-carboxylate Traditional Name: 5-carbomethoxy-3-(methylthio)-2-thenoate Formula: C8H7O4S2- MolecularWeight: 231.26878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)C(=O)[O-])SC

Isomeric SMILES

COC(=O)C1=CC(=C(S1)C(=O)[O-])SC

InChI

InChI=1S/C8H8O4S2/c1-12-8(11)5-3-4(13-2)6(14-5)7(9)10/h3H,1-2H3,(H,9,10)/p-1