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Ethyl 5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID BxQMlWgU6Xt
InChI InChI=1S/C23H17N3O4S/c1-3-29-23(28)21-25-26(15-9-5-4-6-10-15)22(31-21)17(13-24)19(27)20-14(2)16-11-7-8-12-18(16)30-20/h4-12H,3H2,1-2H3/b22-17-
InChIKey OXIZSBJCTQZLBG-XLNRJJMWSA-N
Mol Weight 431.47 g/mol
Molecular Formula C23H17N3O4S
Exact Mass 431.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kg8cq6mkTs7
Name Ethyl 5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Alternate Name(s) (Z)-ethyl 5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4-phenyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3O4S
InChI InChI=1S/C23H17N3O4S/c1-3-29-23(28)21-25-26(15-9-5-4-6-10-15)22(31-21)17(13-24)19(27)20-14(2)16-11-7-8-12-18(16)30-20/h4-12H,3H2,1-2H3/b22-17-
InChIKey OXIZSBJCTQZLBG-XLNRJJMWSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 431.466 g/mol
SMILES c1ccc2oc(C(\C(C#N)=C\3N(N=C(S3)C(OCC)=O)c3ccccc3)=O)c(C)c2c1
SPLASH splash10-001i-2305900000-cf954e2b5eb448f96ebf
Source of Spectrum HAC-18-298-14c
Wiley ID 1776029