Propan-2-Yl (2S)-7-Methoxy-2-[(Methylsulfanyl)Methyl]-3-Sulfanylquinoxaline-1(2H)-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20N2O3S2
IUPAC Name isopropyl (2s)-7-methoxy-2-(methylsulfanylmethyl)-3-thioxo-2,4-dihydroquinoxaline-1-carboxylate
Molecular Mass 340.461 g·mol−1
Heat of Formation -389.5 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 399.1 Å 3
Surface Area 336.08 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-methoxy-2-[(methylthio)methyl]-3-thioxo-2,4-dihydroquinoxaline-1-carboxylic acid isopropyl ester
  • (s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione
  • (s)-7-methoxy-3,4-dihydro-2-[(methylthio)methyl]-3-thioxo-2(1h)-quinoxalinecarboxylic acid, isopropyl ester
  • 1(2h)-quninoxalinecarboxylic acid, 3,4-dihydro-7-methoxy-2-((methylthio)methyl)-3-thioxo-, 1-methylethyl ester, (2s)-
  • 1-methylethyl 7-methoxy-2-((methylthio)methyl)-3-thioxo-3,4-dihydro-1(2h)-quinoxalinecarboxylate
  • bay-10-8979
  • hby
  • hby 097
  • hby-097
  • hby097
  • isopropyl (2s)-7-methoxy-2-(methylsulfanylmethyl)-3-thioxo-2,4-dihydroquinoxaline-1-carboxylate
  • talviraline
CAS Number(s)
  • 163451-80-7
  • 169312-27-0
InChIKey GWKIPRVERALPRD-ZDUSSCGKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N