diethyl 3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC#N

InChI

InChI=1S/C13H16N2O4S/c1-4-18-12(16)10-8(3)11(13(17)19-5-2)15-9(10)6-20-7-14/h15H,4-6H2,1-3H3