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2-[5-[(Z)-[2-azanylidene-3-(3,4-dimethylphenyl)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
SpectraBase Compound ID Iz5UHpYU5sd
InChI InChI=1S/C23H18N2O4S/c1-13-7-8-15(11-14(13)2)25-21(26)20(30-23(25)24)12-16-9-10-19(29-16)17-5-3-4-6-18(17)22(27)28/h3-12,24H,1-2H3,(H,27,28)/b20-12-,24-23?
InChIKey HBKRBPGWEKWUKK-HTHTTXKWSA-N
Mol Weight 418.47 g/mol
Molecular Formula C23H18N2O4S
Exact Mass 418.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQnpItBAig8
Name 2-[5-[(Z)-[2-azanylidene-3-(3,4-dimethylphenyl)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
Alternate Name(s) 2-[5-[(Z)-[3-(3,4-dimethylphenyl)-2-imino-4-keto-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic acid 2-[5-[(Z)-[3-(3,4-dimethylphenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid 2-[5-[(Z)-[3-(3,4-dimethylphenyl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid 2-[5-[(Z)-[3-(3,4-dimethylphenyl)-2-imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic acid
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Formula C23H18N2O4S
InChI InChI=1S/C23H18N2O4S/c1-13-7-8-15(11-14(13)2)25-21(26)20(30-23(25)24)12-16-9-10-19(29-16)17-5-3-4-6-18(17)22(27)28/h3-12,24H,1-2H3,(H,27,28)/b20-12-,24-23?
InChIKey HBKRBPGWEKWUKK-HTHTTXKWSA-N
Molecular Weight 418.467 g/mol
SMILES N=C1N(C(\C(=C\c2oc(-c3c(C(=O)O)cccc3)cc2)S1)=O)c1cc(C)c(cc1)C
SPLASH splash10-0007-0960000000-ebad4056ba77195254c3
Wiley ID 1464145