methyl 1-methyl-4-thiocyanato-pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-4-thiocyanato-pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-4-thiocyanato-pyrrole-2-carboxylate CAS Name: 1-methyl-4-thiocyanato-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-thiocyanatopyrrole-2-carboxylate Traditional Name: 1-methyl-4-thiocyanato-pyrrole-2-carboxylic acid methyl ester Formula: C8H8N2O2S MolecularWeight: 196.22632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)SC#N

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)SC#N

InChI

InChI=1S/C8H8N2O2S/c1-10-4-6(13-5-9)3-7(10)8(11)12-2/h3-4H,1-2H3