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1H-Pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]carbonyl]phenyl ester
SpectraBase Compound ID IM2FtNIYhRM
InChI InChI=1S/C20H16N4O3S/c1-24-10-9-16(23-24)20(26)27-13-7-5-12(6-8-13)18(25)22-19-15(11-21)14-3-2-4-17(14)28-19/h5-10H,2-4H2,1H3,(H,22,25)
InChIKey FSJFRVRGFYEHKX-UHFFFAOYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C20H16N4O3S
Exact Mass 392.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IVwA5E6dnw
Name 1H-Pyrazole-3-carboxylic acid, 1-methyl-, 4-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]carbonyl]phenyl ester
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Formula C20H16N4O3S
InChI InChI=1S/C20H16N4O3S/c1-24-10-9-16(23-24)20(26)27-13-7-5-12(6-8-13)18(25)22-19-15(11-21)14-3-2-4-17(14)28-19/h5-10H,2-4H2,1H3,(H,22,25)
InChIKey FSJFRVRGFYEHKX-UHFFFAOYSA-N
Molecular Weight 392.433 g/mol
SMILES N(c1c(c2CCCc2s1)C#N)C(c1ccc(OC(c2n[n](C)cc2)=O)cc1)=O
SPLASH splash10-0a4i-9820000000-d1846ac4cd98241371a7
Synonyms 1-Methyl-3-pyrazolecarboxylic acid [4-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-oxomethyl]phenyl] ester [4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate
Wiley ID 1449270