ethyl 4-ethyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-ethyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OCC)CSC#N

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OCC)CSC#N

InChI

InChI=1S/C12H16N2O2S/c1-4-9-8(3)11(12(15)16-5-2)14-10(9)6-17-7-13/h14H,4-6H2,1-3H3