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2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID GFKDjXf1TYj
InChI InChI=1S/C31H32N2O5S/c1-4-38-31(35)28-22-12-7-5-6-8-14-27(22)39-30(28)33-29(34)23-18-25(32-24-13-10-9-11-20(23)24)21-16-15-19(36-2)17-26(21)37-3/h9-11,13,15-18H,4-8,12,14H2,1-3H3,(H,33,34)
InChIKey MNWPAIZZMTWRTL-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H32N2O5S
Exact Mass 544.203193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TfbbTRfH3D
Name 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-[[2-(2,4-dimethoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Ethyl 2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32N2O5S
InChI InChI=1S/C31H32N2O5S/c1-4-38-31(35)28-22-12-7-5-6-8-14-27(22)39-30(28)33-29(34)23-18-25(32-24-13-10-9-11-20(23)24)21-16-15-19(36-2)17-26(21)37-3/h9-11,13,15-18H,4-8,12,14H2,1-3H3,(H,33,34)
InChIKey MNWPAIZZMTWRTL-UHFFFAOYSA-N
Molecular Weight 544.666 g/mol
SMILES N(C(=O)c1c2c(cccc2)nc(c1)-c1c(cc(cc1)OC)OC)c1sc2c(c1C(OCC)=O)CCCCCC2
SPLASH splash10-03dl-4390000000-ed8368bd4ec1e6b4a087
Wiley ID 1437610