4-ethyl-5-methyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: 4-ethyl-5-methyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: 4-ethyl-5-methyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-(1-pyrrolyl)-3-thiophenecarboxylate IUPAC Name: 4-ethyl-5-methyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-pyrrol-1-yl-3-thenoate Formula: C12H12NO2S- MolecularWeight: 234.29418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)[O-])N2C=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)[O-])N2C=CC=C2)C

InChI

InChI=1S/C12H13NO2S/c1-3-9-8(2)16-11(10(9)12(14)15)13-6-4-5-7-13/h4-7H,3H2,1-2H3,(H,14,15)/p-1