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2-(ETHOXYCARBONYLAMINO-CARBOTHIOYL)-AMINO-7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO-[4',3':4,5]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER

View entire compound with spectra: 1 NMR

2-(ETHOXYCARBONYLAMINO-CARBOTHIOYL)-AMINO-7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO-[4',3':4,5]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID CyoJMFbLrJp
InChI InChI=1S/C21H25N3O4S2/c1-3-27-19(25)17-15-10-11-24(12-14-8-6-5-7-9-14)13-16(15)30-18(17)22-20(29)23-21(26)28-4-2/h5-9H,3-4,10-13H2,1-2H3,(H2,22,23,26,29)
InChIKey FQCJXEXBWIGQHD-UHFFFAOYSA-N
Mol Weight 447.57 g/mol
Molecular Formula C21H25N3O4S2
Exact Mass 447.128649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B973Xi9NBxK
Name 2-(ETHOXYCARBONYLAMINO-CARBOTHIOYL)-AMINO-7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO-[4',3':4,5]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N3O4S2
InChI InChI=1S/C21H25N3O4S2/c1-3-27-19(25)17-15-10-11-24(12-14-8-6-5-7-9-14)13-16(15)30-18(17)22-20(29)23-21(26)28-4-2/h5-9H,3-4,10-13H2,1-2H3,(H2,22,23,26,29)
InChIKey FQCJXEXBWIGQHD-UHFFFAOYSA-N
Literature Reference Author K.M.AL-TAISAN,H.M.A.AL-HAZIMI,S.S.AL-SHIHRY
Literature Reference Citation MOLECULES,15,3932(2010)
Literature Reference DOI 10.3390/molecules15063932
Molecular Weight 447.567 g/mol
Sample ID 70957
Solvent DMSO-D6