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Methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate
SpectraBase Compound ID I0Gn826HDpA
InChI InChI=1S/C23H24N4O2S2/c1-29-18(28)14-31-21-16(12-24)23(10-6-3-7-11-23)19(20(25)27-21)22-26-17(13-30-22)15-8-4-2-5-9-15/h2,4-5,8-9,13,19H,3,6-7,10-11,14H2,1H3,(H2,25,27)
InChIKey UCXXGNUFACMINY-UHFFFAOYSA-N
Mol Weight 452.59 g/mol
Molecular Formula C23H24N4O2S2
Exact Mass 452.134068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0iMbtxOTwm
Name Methyl {[1-cyano-4-imino-5-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undec-1-en-2-yl]sulfanyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N4O2S2
InChI InChI=1S/C23H24N4O2S2/c1-29-18(28)14-31-21-16(12-24)23(10-6-3-7-11-23)19(20(25)27-21)22-26-17(13-30-22)15-8-4-2-5-9-15/h2,4-5,8-9,13,19H,3,6-7,10-11,14H2,1H3,(H2,25,27)
InChIKey UCXXGNUFACMINY-UHFFFAOYSA-N
Molecular Weight 452.591 g/mol
SMILES N1C(=C(C2(C(C1=N)c1nc(-c3ccccc3)cs1)CCCCC2)C#N)SCC(=O)OC
SPLASH splash10-0ue9-9840000000-70bc7729de44302c5e85
Synonyms Methyl 2-[[8-amino-11-cyano-7-(4-phenyl-1,3-thiazol-2-yl)-9-azaspiro[5.5]undeca-8,10-dien-10-yl]sulfanyl]acetate 2-[[2-amino-5-cyano-1-(4-phenyl-2-thiazolyl)-3-azaspiro[5.5]undeca-2,4-dien-4-yl]thio]acetic acid methyl ester Methyl 2-[[2-amino-5-cyano-1-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-2,4-dien-4-yl]sulfanyl]acetate Methyl 2-[[2-amino-5-cyano-1-(4-phenylthiazol-2-yl)-3-azaspiro[5.5]undeca-2,4-dien-4-yl]sulfanyl]acetate Methyl 2-[[2-azanyl-5-cyano-1-(4-phenyl-1,3-thiazol-2-yl)-3-azaspiro[5.5]undeca-2,4-dien-4-yl]sulfanyl]ethanoate
Wiley ID 1457926