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2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

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2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate
SpectraBase Compound ID CpyyLTaSQtH
InChI InChI=1S/C23H19N3O3S/c27-20(26-23-25-18-11-5-6-12-19(18)30-23)13-29-22(28)21-14-7-1-3-9-16(14)24-17-10-4-2-8-15(17)21/h1,3,5-7,9,11-12H,2,4,8,10,13H2,(H,25,26,27)
InChIKey GLUJZCZABBEYAI-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C23H19N3O3S
Exact Mass 417.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26PZ5KbolJr
Name 2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 417.114712655 u
Formula C23H19N3O3S
InChI InChI=1S/C23H19N3O3S/c27-20(26-23-25-18-11-5-6-12-19(18)30-23)13-29-22(28)21-14-7-1-3-9-16(14)24-17-10-4-2-8-15(17)21/h1,3,5-7,9,11-12H,2,4,8,10,13H2,(H,25,26,27)
InChIKey GLUJZCZABBEYAI-UHFFFAOYSA-N
Molecular Weight 417.483 g/mol
SMILES N(C1=NC=2C=CC=CC2S1)C(=O)COC(C1=C2C(CCCC2)=NC2=C1C=CC=C2)=O