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Benzoic acid, 3-(3-allyl-5-oxo-2-thioxothiazolidin-4-ylidenemethyl)phenyl ester
SpectraBase Compound ID GWCCtQBomRV
InChI InChI=1S/C20H15NO3S2/c1-2-11-21-17(19(23)26-20(21)25)13-14-7-6-10-16(12-14)24-18(22)15-8-4-3-5-9-15/h2-10,12-13H,1,11H2/b17-13+
InChIKey KBILPEONCXPWPY-GHRIWEEISA-N
Mol Weight 381.46 g/mol
Molecular Formula C20H15NO3S2
Exact Mass 381.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 853UdQrwEyq
Name Benzoic acid, 3-(3-allyl-5-oxo-2-thioxothiazolidin-4-ylidenemethyl)phenyl ester
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Formula C20H15NO3S2
InChI InChI=1S/C20H15NO3S2/c1-2-11-21-17(19(23)26-20(21)25)13-14-7-6-10-16(12-14)24-18(22)15-8-4-3-5-9-15/h2-10,12-13H,1,11H2/b17-13+
InChIKey KBILPEONCXPWPY-GHRIWEEISA-N
Molecular Weight 381.464 g/mol
SMILES C1(SC(=O)\C(N1CC=C)=C/c1cc(OC(=O)c2ccccc2)ccc1)=S
SPLASH splash10-0a4i-7900000000-0ed4ba35b6a0499442ff
Source of Spectrum AD-0-2532-0
Synonyms 3-[(3-allyl-5-oxo-2-thioxo-1,3-thiazolidin-4-ylidene)methyl]phenyl benzoate 3-[(E)-(3-Allyl-5-oxo-2-thioxo-1,3-thiazolidin-4-ylidene)methyl]phenyl benzoate benzoic acid [3-[(E)-(5-oxo-3-prop-2-enyl-2-sulfanylidene-4-thiazolidinylidene)methyl]phenyl] ester [3-[(E)-(5-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-ylidene)methyl]phenyl] benzoate [3-[(E)-(3-allyl-5-oxo-2-thioxo-thiazolidin-4-ylidene)methyl]phenyl] benzoate [3-[(E)-(5-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-ylidene)methyl]phenyl] benzoate
Wiley ID 1432402