(2R)-5-Methylene-2-{(1R)-2-Oxo-1-[(2-Thienylacetyl)Amino]Ethyl}-5,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C14H14N2O4S2
IUPAC Name (2r)-5-methylene-2-[(1r)-2-oxo-1-[[2-(2-thienyl)acetyl]amino]ethyl]-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 338.402 g·mol−1
Heat of Formation -381.6 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 383.49 Å 3
Surface Area 317.01 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r)-2-keto-1-[[2-(2-thienyl)acetyl]amino]ethyl]-5-methylene-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-5-methylene-2-[(1r)-2-oxo-1-[[1-oxo-2-(2-thienyl)ethyl]amino]ethyl]-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-5-methylene-2-[(1r)-2-oxo-1-[[2-(2-thienyl)acetyl]amino]ethyl]-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-5-methylidene-2-[(1r)-2-oxo-1-(2-thiophen-2-ylethanoylamino)ethyl]-2h-1,3-thiazine-4-carboxylic acid
  • (2r)-5-methylidene-2-[(1r)-2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-2h-1,3-thiazine-4-carboxylic acid
  • 5-methylene-2-[2-oxo-1-(2-thiophen-2-yl-acetylamino)-ethyl]-5,6-dihydro-2h-[1,3]thiazine-4-carboxylic acid
  • ceo
InChIKey FYGLCWWPHIWVKN-ZWNOBZJWSA-N
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