methyl 3-isothiocyanatothiophene-2-carboxylate

Systemtic Name: methyl 3-isothiocyanatothiophene-2-carboxylate Openeye Name: methyl 3-isothiocyanatothiophene-2-carboxylate CAS Name: 3-isothiocyanato-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-isothiocyanatothiophene-2-carboxylate Traditional Name: 3-isothiocyanatothiophene-2-carboxylic acid methyl ester Formula: C7H5NO2S2 MolecularWeight: 199.2501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)N=C=S

Isomeric SMILES

COC(=O)C1=C(C=CS1)N=C=S

InChI

InChI=1S/C7H5NO2S2/c1-10-7(9)6-5(8-4-11)2-3-12-6/h2-3H,1H3