β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(methylthio)benzenepropanoic acid

CAS Registry Number®

454473-83-7
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CAS Name

β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(methylthio)benzenepropanoic acid

Molecular Formula

C15H21NO4S

Molecular Mass

311.40

Cite this Page

β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(methylthio)benzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=454473-83-7 (retrieved 2024-09-10) (CAS RN: 454473-83-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(9-13(17)18)10-5-7-11(21-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)

InChIKey

InChIKey=NNEZAROGWHIRJI-UHFFFAOYSA-N

SMILES

C(NC(OC(C)(C)C)=O)(CC(O)=O)C1=CC=C(SC)C=C1

Canonical SMILES

O=C(OC(C)(C)C)NC(C1=CC=C(SC)C=C1)CC(=O)O

Other Names for this Substance

  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(methylthio)-
  • β-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-(methylthio)benzenepropanoic acid