Ethyl 3-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]butanoate

CAS Registry Number®

877052-30-7
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CAS Name

Ethyl 3-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]butanoate

Molecular Formula

C13H14N4O3S

Molecular Mass

306.34

Cite this Page

Ethyl 3-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=877052-30-7 (retrieved 2024-08-18) (CAS RN: 877052-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14N4O3S/c1-2-20-12(19)8-11(18)9-21-13-14-15-16-17(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

InChIKey

InChIKey=SNZXWTBGSXLIKU-UHFFFAOYSA-N

SMILES

S(CC(CC(OCC)=O)=O)C=1N(N=NN1)C2=CC=CC=C2

Canonical SMILES

O=C(OCC)CC(=O)CSC1=NN=NN1C=2C=CC=CC2

Other Names for this Substance

  • Butanoic acid, 3-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-, ethyl ester
  • Ethyl 3-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]butanoate