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

Systemtic Name: ethyl 4-ethanoyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3-methyl-5-(thiocyanatomethyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-4-17-12(16)11-7(2)10(8(3)15)9(14-11)5-18-6-13/h14H,4-5H2,1-3H3