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methyl 4-cyano-3-methyl-5-[(9H-xanthen-9-ylcarbonyl)amino]-2-thiophenecarboxylate
SpectraBase Compound ID GfdGlr1r4rO
InChI InChI=1S/C22H16N2O4S/c1-12-15(11-23)21(29-19(12)22(26)27-2)24-20(25)18-13-7-3-5-9-16(13)28-17-10-6-4-8-14(17)18/h3-10,18H,1-2H3,(H,24,25)
InChIKey ZDZISKGXKLWNLN-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C22H16N2O4S
Exact Mass 404.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HY4j3EPeBB
Name 4-cyano-3-methyl-5-[[oxo(9H-xanthen-9-yl)methyl]amino]-2-thiophenecarboxylic acid methyl ester
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Formula C22H16N2O4S
InChI InChI=1S/C22H16N2O4S/c1-12-15(11-23)21(29-19(12)22(26)27-2)24-20(25)18-13-7-3-5-9-16(13)28-17-10-6-4-8-14(17)18/h3-10,18H,1-2H3,(H,24,25)
InChIKey ZDZISKGXKLWNLN-UHFFFAOYSA-N
Molecular Weight 404.440 g/mol
SMILES N(C(C1c2c(cccc2)Oc2c1cccc2)=O)c1c(c(C)c(s1)C(=O)OC)C#N
SPLASH splash10-001i-1900000000-427f1e0153747d49a7b1
Synonyms Methyl 4-cyano-3-methyl-5-(9H-xanthen-9-ylcarbonylamino)thiophene-2-carboxylate Methyl 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylate Methyl 4-cyano-3-methyl-5-[(9H-xanthen-9-ylcarbonyl)amino]-2-thiophenecarboxylate
Wiley ID 1445476