5-ethyl-4-methyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid

Systemtic Name: 5-ethyl-4-methyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid Openeye Name: 5-ethyl-4-methyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid CAS Name: 5-ethyl-4-methyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid IUPAC Name: 5-ethyl-4-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid Traditional Name: 5-ethyl-4-methyl-2-pyrrol-1-yl-3-thenoic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)N2C=CC=C2)C(=O)O)C

Isomeric SMILES

CCC1=C(C(=C(S1)N2C=CC=C2)C(=O)O)C

InChI

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