4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-3-thienyl-1H-1,4-diazepine-1-acetic acid

CAS Registry Number®

885275-85-4
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CAS Name

4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-3-thienyl-1H-1,4-diazepine-1-acetic acid

Molecular Formula

C16H24N2O4S

Molecular Mass

340.44

Cite this Page

4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-3-thienyl-1H-1,4-diazepine-1-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=885275-85-4 (retrieved 2024-09-07) (CAS RN: 885275-85-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H24N2O4S/c1-16(2,3)22-15(21)18-7-4-6-17(8-9-18)13(14(19)20)12-5-10-23-11-12/h5,10-11,13H,4,6-9H2,1-3H3,(H,19,20)

InChIKey

InChIKey=GKQFMQTWRSMUME-UHFFFAOYSA-N

SMILES

C(C(O)=O)(N1CCN(C(OC(C)(C)C)=O)CCC1)C=2C=CSC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCN(CCC1)C(C(=O)O)C2=CSC=C2

Other Names for this Substance

  • 1H-1,4-Diazepine-1-acetic acid, 4-[(1,1-dimethylethoxy)carbonyl]hexahydro-α-3-thienyl-
  • 4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-3-thienyl-1H-1,4-diazepine-1-acetic acid