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

Systemtic Name: 1-ethyl-5-phenylsulfanyl-pyrrole-3-carboxylic acid Openeye Name: 1-ethyl-5-phenylsulfanyl-pyrrole-3-carboxylic acid CAS Name: 1-ethyl-5-(phenylthio)-3-pyrrolecarboxylic acid IUPAC Name: 1-ethyl-5-phenylsulfanylpyrrole-3-carboxylic acid Traditional Name: 1-ethyl-5-(phenylthio)pyrrole-3-carboxylic acid Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCN1C=C(C=C1SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13NO2S/c1-2-14-9-10(13(15)16)8-12(14)17-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H,15,16)