For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 48PIubdwSQc
InChI InChI=1S/C21H18Cl2N2O4S/c1-3-28-21(27)16-11-6-4-9-14(11)30-20(16)24-19(26)15-10(2)29-25-18(15)17-12(22)7-5-8-13(17)23/h5,7-8H,3-4,6,9H2,1-2H3,(H,24,26)
InChIKey HOUZESBWTUEORX-UHFFFAOYSA-N
Mol Weight 465.35 g/mol
Molecular Formula C21H18Cl2N2O4S
Exact Mass 464.036434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B0e60TouT7Q
Name 2-[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18Cl2N2O4S
InChI InChI=1S/C21H18Cl2N2O4S/c1-3-28-21(27)16-11-6-4-9-14(11)30-20(16)24-19(26)15-10(2)29-25-18(15)17-12(22)7-5-8-13(17)23/h5,7-8H,3-4,6,9H2,1-2H3,(H,24,26)
InChIKey HOUZESBWTUEORX-UHFFFAOYSA-N
Molecular Weight 465.351 g/mol
SMILES N(C(=O)c1c(onc1-c1c(cccc1Cl)Cl)C)c1sc2c(c1C(OCC)=O)CCC2
SPLASH splash10-01ox-9250300000-60d916ee07c2588a7b8f
Synonyms Ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Ethyl 2-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Ethyl 2-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Wiley ID 1447917