(phenylmethyl) 5-methylsulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate hydroiodide

Systemtic Name: (phenylmethyl) 5-methylsulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate hydroiodide Openeye Name: benzyl 5-methylsulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate hydroiodide CAS Name: 5-(methylthio)-3,4-dihydro-2H-pyrrole-2-carboxylic acid (phenylmethyl) ester hydroiodide IUPAC Name: benzyl 5-methylsulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate hydroiodide Traditional Name: 5-(methylthio)-1-pyrroline-2-carboxylic acid benzyl ester hydroiodide Formula: C13H16INO2S MolecularWeight: 377.24111

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(CC1)C(=O)OCC2=CC=CC=C2.I

Isomeric SMILES

CSC1=NC(CC1)C(=O)OCC2=CC=CC=C2.I

InChI

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