4-butanoyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-butanoyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-butanoyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-methyl-5-(methylthio)-4-(1-oxobutyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-butanoyl-3-methyl-5-methylsulfanyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-butyryl-3-methyl-5-(methylthio)-1H-pyrrole-2-carboxylic acid Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(NC(=C1C)C(=O)O)SC

Isomeric SMILES

CCCC(=O)C1=C(NC(=C1C)C(=O)O)SC

InChI

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