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Ethyl 4-(4-chlorophenyl)-5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 4-(4-chlorophenyl)-5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID JUYqOvYXfY8
InChI InChI=1S/C23H16ClN3O4S/c1-3-30-23(29)21-26-27(15-10-8-14(24)9-11-15)22(32-21)17(12-25)19(28)20-13(2)16-6-4-5-7-18(16)31-20/h4-11H,3H2,1-2H3/b22-17-
InChIKey ZZNXORLWPUOLOW-XLNRJJMWSA-N
Mol Weight 465.91 g/mol
Molecular Formula C23H16ClN3O4S
Exact Mass 465.055005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNUiGjC3Sqh
Name Ethyl 4-(4-chlorophenyl)-5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Alternate Name(s) (Z)-ethyl 4-(4-chlorophenyl)-5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
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Formula C23H16ClN3O4S
InChI InChI=1S/C23H16ClN3O4S/c1-3-30-23(29)21-26-27(15-10-8-14(24)9-11-15)22(32-21)17(12-25)19(28)20-13(2)16-6-4-5-7-18(16)31-20/h4-11H,3H2,1-2H3/b22-17-
InChIKey ZZNXORLWPUOLOW-XLNRJJMWSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 465.911 g/mol
SMILES c1ccc2c(c1)c(C)c(C(\C(C#N)=C\1N(N=C(S1)C(OCC)=O)c1ccc(cc1)Cl)=O)o2
SPLASH splash10-0690-4700900000-0365bef392faa8a5f910
Source of Spectrum HAC-18-298-14e
Wiley ID 1776031