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Ethyl 2-(2-imino-4-oxothiazolidin-3-yl)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SpectraBase Compound ID BAYphkDfh7O
InChI InChI=1S/C18H17N3O4S2/c1-3-25-17(24)13-10(2)14(15(23)20-11-7-5-4-6-8-11)27-16(13)21-12(22)9-26-18(21)19/h4-8,19H,3,9H2,1-2H3,(H,20,23)
InChIKey UUIQDPSTEMGCOK-UHFFFAOYSA-N
Mol Weight 403.47 g/mol
Molecular Formula C18H17N3O4S2
Exact Mass 403.066048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2EcnY3HaYu
Name Ethyl 2-(2-imino-4-oxothiazolidin-3-yl)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Appearance Yellow crystals
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Formula C18H17N3O4S2
InChI InChI=1S/C18H17N3O4S2/c1-3-25-17(24)13-10(2)14(15(23)20-11-7-5-4-6-8-11)27-16(13)21-12(22)9-26-18(21)19/h4-8,19H,3,9H2,1-2H3,(H,20,23)
InChIKey UUIQDPSTEMGCOK-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2622
Molecular Weight 403.471 g/mol
SMILES N(C(c1c(c(c(N2C(SCC2=O)=N)s1)C(OCC)=O)C)=O)c1ccccc1
SPLASH splash10-02t9-1950000000-34d7ed8f5e6a3b3a23af
Source of Spectrum Y-54-568-24
Wiley ID 1880703