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3-thiazolidinebutanoic acid, 4-oxo-5-(2-thienylmethylene)-2-thioxo-, ethyl ester, (5E)-

View entire compound with spectra: 2 NMR

3-thiazolidinebutanoic acid, 4-oxo-5-(2-thienylmethylene)-2-thioxo-, ethyl ester, (5E)-
SpectraBase Compound ID 94aIV45Drqd
InChI InChI=1S/C14H15NO3S3/c1-2-18-12(16)6-3-7-15-13(17)11(21-14(15)19)9-10-5-4-8-20-10/h4-5,8-9H,2-3,6-7H2,1H3/b11-9+
InChIKey VVFLKJOVVUJTDU-PKNBQFBNSA-N
Mol Weight 341.46 g/mol
Molecular Formula C14H15NO3S3
Exact Mass 341.021407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cvYzN4H8mL
Name 3-Thiazolidinebutanoic acid, 4-oxo-5-(2-thienylmethylene)-2-thioxo-, ethyl ester, (5E)-
Comments Computed using HOSE algorithm
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Exact Mass 341.021406866 u
Formula C14H15NO3S3
InChI InChI=1S/C14H15NO3S3/c1-2-18-12(16)6-3-7-15-13(17)11(21-14(15)19)9-10-5-4-8-20-10/h4-5,8-9H,2-3,6-7H2,1H3/b11-9+
InChIKey VVFLKJOVVUJTDU-PKNBQFBNSA-N
Molecular Weight 341.458 g/mol
SMILES CCOC(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O