methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate CAS Name: 4-cyano-3-(2,5-dimethyl-1-pyrrolyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate Traditional Name: 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylic acid methyl ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC=C2C#N)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC=C2C#N)C(=O)OC)C

InChI

InChI=1S/C13H12N2O2S/c1-8-4-5-9(2)15(8)11-10(6-14)7-18-12(11)13(16)17-3/h4-5,7H,1-3H3