5-methanoyl-2-methyl-4-(3-methylsulfanylpropyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-methanoyl-2-methyl-4-(3-methylsulfanylpropyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 5-formyl-2-methyl-4-(3-methylsulfanylpropyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-formyl-2-methyl-4-[3-(methylthio)propyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-formyl-2-methyl-4-(3-methylsulfanylpropyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-formyl-2-methyl-4-[3-(methylthio)propyl]-1H-pyrrole-3-carboxylic acid Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C=O)CCCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)C=O)CCCSC)C(=O)O

InChI

InChI=1S/C11H15NO3S/c1-7-10(11(14)15)8(4-3-5-16-2)9(6-13)12-7/h6,12H,3-5H2,1-2H3,(H,14,15)