4-[(2-methylsulfanylphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(2-methylsulfanylphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(2-methylsulfanylphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[2-(methylthio)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(2-methylsulfanylphenyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(methylthio)benzyl]-3-pyrroline-2-carboxylic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CC2=CC(NC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1CC2=CC(NC2)C(=O)O

InChI

InChI=1S/C13H15NO2S/c1-17-12-5-3-2-4-10(12)6-9-7-11(13(15)16)14-8-9/h2-5,7,11,14H,6,8H2,1H3,(H,15,16)