4-[(4-methylphenyl)methylsulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid

Systemtic Name: 4-[(4-methylphenyl)methylsulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid Openeye Name: 4-(p-tolylmethylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid CAS Name: 4-[(4-methylphenyl)methylthio]-3,4-dihydro-2H-pyrrole-5-carboxylic acid IUPAC Name: 4-[(4-methylphenyl)methylsulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid Traditional Name: 3-[(4-methylbenzyl)thio]-1-pyrroline-2-carboxylic acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2CCN=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2CCN=C2C(=O)O

InChI

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