5-(phenylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: 5-(phenylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: 5-(phenylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-[(phenylthio)methyl]-2-thiophenecarboxylate IUPAC Name: 5-(phenylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-[(phenylthio)methyl]-2-thenoate Formula: C12H9O2S2- MolecularWeight: 249.32866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=C(S2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=C(S2)C(=O)[O-]

InChI

InChI=1S/C12H10O2S2/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)/p-1