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2-[[(Z)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
SpectraBase Compound ID KtAkXmmS2ZX
InChI InChI=1S/C20H22N2O4S2/c1-25-19(24)17-14-8-4-2-3-5-9-15(14)28-18(17)22-20(27)21-16(23)11-10-13-7-6-12-26-13/h6-7,10-12H,2-5,8-9H2,1H3,(H2,21,22,23,27)/b11-10-
InChIKey IKDOTMJVQQAMPY-KHPPLWFESA-N
Mol Weight 418.53 g/mol
Molecular Formula C20H22N2O4S2
Exact Mass 418.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gus14IJPL1m
Name 2-[[(Z)-3-(2-furyl)acryloyl]thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4S2
InChI InChI=1S/C20H22N2O4S2/c1-25-19(24)17-14-8-4-2-3-5-9-15(14)28-18(17)22-20(27)21-16(23)11-10-13-7-6-12-26-13/h6-7,10-12H,2-5,8-9H2,1H3,(H2,21,22,23,27)/b11-10-
InChIKey IKDOTMJVQQAMPY-KHPPLWFESA-N
Molecular Weight 418.526 g/mol
SMILES N(c1c(c2CCCCCCc2s1)C(=O)OC)C(NC(\C=C/c1occc1)=O)=S
SPLASH splash10-00xr-9840000000-4ec885f5c7eea3c52d86
Synonyms 2-[[[[(Z)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[[(Z)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Methyl 2-[[(Z)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Wiley ID 1458987