4-ethanoyl-1,3-dimethyl-5-methylsulfanyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-ethanoyl-1,3-dimethyl-5-methylsulfanyl-pyrrole-2-carboxylic acid Openeye Name: 4-acetyl-1,3-dimethyl-5-methylsulfanyl-pyrrole-2-carboxylic acid CAS Name: 4-acetyl-1,3-dimethyl-5-(methylthio)-2-pyrrolecarboxylic acid IUPAC Name: 4-acetyl-1,3-dimethyl-5-methylsulfanylpyrrole-2-carboxylic acid Traditional Name: 4-acetyl-1,3-dimethyl-5-(methylthio)pyrrole-2-carboxylic acid Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)C)SC)C)C(=O)O

Isomeric SMILES

CC1=C(N(C(=C1C(=O)C)SC)C)C(=O)O

InChI

InChI=1S/C10H13NO3S/c1-5-7(6(2)12)9(15-4)11(3)8(5)10(13)14/h1-4H3,(H,13,14)