3-Pyrrolidinecarboxylic acid, 1-[3-(methylthio)phenyl]-5-oxo-

CAS Registry Number®

63674-52-2
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CAS Name

3-Pyrrolidinecarboxylic acid, 1-[3-(methylthio)phenyl]-5-oxo-

Molecular Formula

C12H13NO3S

Molecular Mass

251.30

Cite this Page

3-Pyrrolidinecarboxylic acid, 1-[3-(methylthio)phenyl]-5-oxo-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=63674-52-2 (retrieved 2024-05-04) (CAS RN: 63674-52-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO3S/c1-17-10-4-2-3-9(6-10)13-7-8(12(15)16)5-11(13)14/h2-4,6,8H,5,7H2,1H3,(H,15,16)

InChIKey

InChIKey=NHDHIMKQGYJLII-UHFFFAOYSA-N

SMILES

O=C1N(CC(C(O)=O)C1)C2=CC(SC)=CC=C2

Canonical SMILES

O=C(O)C1CC(=O)N(C=2C=CC=C(SC)C2)C1

Other Names for this Substance

  • 3-Pyrrolidinecarboxylic acid, 1-[3-(methylthio)phenyl]-5-oxo-
  • 1-[3-(Methylthio)phenyl]-5-oxopyrrolidine-3-carboxylic acid
  • 1-[3-(Methylthio)phenyl]-5-oxo-pyrrolidine-3-carboxylic acid
  • 1-[3-(Methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

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