methyl 5-ethyl-2-isothiocyanato-thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-isothiocyanato-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-isothiocyanato-thiophene-3-carboxylate CAS Name: 5-ethyl-2-isothiocyanato-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-isothiocyanatothiophene-3-carboxylate Traditional Name: 5-ethyl-2-isothiocyanato-thiophene-3-carboxylic acid methyl ester Formula: C9H9NO2S2 MolecularWeight: 227.30326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)N=C=S)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)N=C=S)C(=O)OC

InChI

InChI=1S/C9H9NO2S2/c1-3-6-4-7(9(11)12-2)8(14-6)10-5-13/h4H,3H2,1-2H3