1-methyl-5-phenylsulfanyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-methyl-5-phenylsulfanyl-pyrrole-3-carboxylic acid Openeye Name: 1-methyl-5-phenylsulfanyl-pyrrole-3-carboxylic acid CAS Name: 1-methyl-5-(phenylthio)-3-pyrrolecarboxylic acid IUPAC Name: 1-methyl-5-phenylsulfanylpyrrole-3-carboxylic acid Traditional Name: 1-methyl-5-(phenylthio)pyrrole-3-carboxylic acid Formula: C12H11NO2S MolecularWeight: 233.28624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=C1SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H11NO2S/c1-13-8-9(12(14)15)7-11(13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)