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1H-indole-2-carboxylic acid, 6-methoxy-3-[(E)-[3-(3-methoxyphenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester

View entire compound with spectra: 2 NMR

1H-indole-2-carboxylic acid, 6-methoxy-3-[(E)-[3-(3-methoxyphenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
SpectraBase Compound ID EfgO6AxvHRQ
InChI InChI=1S/C22H18N2O5S2/c1-27-13-6-4-5-12(9-13)24-20(25)18(31-22(24)30)11-16-15-8-7-14(28-2)10-17(15)23-19(16)21(26)29-3/h4-11,23H,1-3H3/b18-11+
InChIKey PVHLXTCVAKGVMP-WOJGMQOQSA-N
Mol Weight 454.52 g/mol
Molecular Formula C22H18N2O5S2
Exact Mass 454.065714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pAKZDIWvtf
Name 1H-Indole-2-carboxylic acid, 6-methoxy-3-[(E)-[3-(3-methoxyphenyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.065714031 u
Formula C22H18N2O5S2
InChI InChI=1S/C22H18N2O5S2/c1-27-13-6-4-5-12(9-13)24-20(25)18(31-22(24)30)11-16-15-8-7-14(28-2)10-17(15)23-19(16)21(26)29-3/h4-11,23H,1-3H3/b18-11+
InChIKey PVHLXTCVAKGVMP-WOJGMQOQSA-N
Molecular Weight 454.515 g/mol
SMILES N1C2=C(C(=C1C(=O)OC)\C=C/1C(N(C(S1)=S)C=1C=C(OC)C=CC1)=O)C=CC(=C2)OC