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2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]thio]acetic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]thio]acetic acid methyl ester
SpectraBase Compound ID 9eodXNkznkO
InChI InChI=1S/C21H16N2O2S3/c1-25-18(24)12-28-21-16(11-22)19(17-5-3-9-27-17)15-7-6-13(20(15)23-21)10-14-4-2-8-26-14/h2-5,8-10H,6-7,12H2,1H3/b13-10+
InChIKey SYXSQXFUFGEOHA-JLHYYAGUSA-N
Mol Weight 424.55 g/mol
Molecular Formula C21H16N2O2S3
Exact Mass 424.037391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mNC9O6Vtih
Name 2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]thio]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2S3
InChI InChI=1S/C21H16N2O2S3/c1-25-18(24)12-28-21-16(11-22)19(17-5-3-9-27-17)15-7-6-13(20(15)23-21)10-14-4-2-8-26-14/h2-5,8-10H,6-7,12H2,1H3/b13-10+
InChIKey SYXSQXFUFGEOHA-JLHYYAGUSA-N
Molecular Weight 424.551 g/mol
SMILES c12nc(SCC(=O)OC)c(c(c2CC\C1=C\c1sccc1)-c1sccc1)C#N
SPLASH splash10-006y-9213300000-4ddf98c1687631d09c08
Synonyms 2-[[(7E)-3-cyano-7-(2-thenylidene)-4-(2-thienyl)-1-pyrindan-2-yl]thio]acetic acid methyl ester Methyl 2-[[(7E)-3-cyano-4-(2-thienyl)-7-(2-thienylmethylene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate Methyl 2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate Methyl 2-[[(7E)-3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]ethanoate
Wiley ID 1457801