ethyl 4-ethanoyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethanoyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3-methyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3-methyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)SC)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)SC)C(=O)C)C

InChI

InChI=1S/C11H15NO3S/c1-5-15-11(14)9-6(2)8(7(3)13)10(12-9)16-4/h12H,5H2,1-4H3