ethyl 3,5-dimethyl-4-thiocyanato-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-thiocyanato-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-thiocyanato-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-thiocyanato-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-thiocyanato-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-thiocyanato-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C10H12N2O2S MolecularWeight: 224.27948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)SC#N)C

InChI

InChI=1S/C10H12N2O2S/c1-4-14-10(13)8-6(2)9(15-5-11)7(3)12-8/h12H,4H2,1-3H3