Ethyl ({2-[(1,3-Benzothiazol-2-Ylcarbonyl)Amino]-3-Thienyl}Carbonyl)Carbamate

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Properties Simple | Detailed

Formula C16H13N3O4S2
IUPAC Name ethyl n-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
Molecular Mass 375.422 g·mol−1
Heat of Formation -357.7 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 394.3 Å 3
Surface Area 366.84 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry Cs
Synonyms
  • ethyl n-[2-(1,3-benzothiazol-2-ylcarbonylamino)thiophen-3-yl]carbonylcarbamate
  • n-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamic acid ethyl ester
  • n-[[2-[(1,3-benzothiazol-2-yl-oxomethyl)amino]-3-thienyl]-oxomethyl]carbamic acid ethyl ester
InChIKey ISNBJLXHBBZKSL-UHFFFAOYSA-N
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