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2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-thiazol-4-yl]acetic acid ethyl ester
SpectraBase Compound ID 71OLGVTiDIv
InChI InChI=1S/C21H15N3O5S/c1-2-29-21(26)16(12-22)17-19(30-20(23-17)14-6-4-3-5-7-14)18(25)13-8-10-15(11-9-13)24(27)28/h3-11,16H,2H2,1H3
InChIKey GQAQRJTXZBXPHQ-UHFFFAOYSA-N
Mol Weight 421.43 g/mol
Molecular Formula C21H15N3O5S
Exact Mass 421.073242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ax0wJS9gsWF
Name 2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-thiazol-4-yl]acetic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O5S
InChI InChI=1S/C21H15N3O5S/c1-2-29-21(26)16(12-22)17-19(30-20(23-17)14-6-4-3-5-7-14)18(25)13-8-10-15(11-9-13)24(27)28/h3-11,16H,2H2,1H3
InChIKey GQAQRJTXZBXPHQ-UHFFFAOYSA-N
Molecular Weight 421.427 g/mol
SMILES C(C(c1nc(sc1C(c1ccc(cc1)N(=O)=O)=O)-c1ccccc1)C#N)(=O)OCC
SPLASH splash10-0fk9-0908400000-284241bd1141d27514bf
Source of Spectrum O1-63-2326-8
Synonyms 2-cyano-2-[5-[(4-nitrophenyl)-oxomethyl]-2-phenyl-4-thiazolyl]acetic acid ethyl ester Ethyl 2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-1,3-thiazol-4-yl]acetate Ethyl 2-cyano-2-[5-(4-nitrobenzoyl)-2-phenyl-thiazol-4-yl]acetate Ethyl 2-cyano-2-[5-(4-nitrophenyl)carbonyl-2-phenyl-1,3-thiazol-4-yl]ethanoate
Wiley ID 1592842