3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: 3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate IUPAC Name: 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzothiophene-1-carboxylate Formula: C10H9O3S2- MolecularWeight: 241.30666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C(=O)[O-])CCCC2=O

Isomeric SMILES

CSC1=C2C(=C(S1)C(=O)[O-])CCCC2=O

InChI

InChI=1S/C10H10O3S2/c1-14-10-7-5(3-2-4-6(7)11)8(15-10)9(12)13/h2-4H2,1H3,(H,12,13)/p-1