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

*Links on SpectraBase are not permalinks.
3-[(4-bromoanilino)-oxomethyl]-2-[[(4-fluorophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
SpectraBase Compound ID KSeiK2LtJrB
InChI InChI=1S/C24H21BrFN3O4S/c1-2-33-24(32)29-12-11-18-19(13-29)34-23(28-21(30)14-3-7-16(26)8-4-14)20(18)22(31)27-17-9-5-15(25)6-10-17/h3-10H,2,11-13H2,1H3,(H,27,31)(H,28,30)
InChIKey PXAYPTBAERMUPD-UHFFFAOYSA-N
Mol Weight 546.41 g/mol
Molecular Formula C24H21BrFN3O4S
Exact Mass 545.042019 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 AqrtqqUB887
Name 3-[(4-bromoanilino)-oxomethyl]-2-[[(4-fluorophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21BrFN3O4S
InChI InChI=1S/C24H21BrFN3O4S/c1-2-33-24(32)29-12-11-18-19(13-29)34-23(28-21(30)14-3-7-16(26)8-4-14)20(18)22(31)27-17-9-5-15(25)6-10-17/h3-10H,2,11-13H2,1H3,(H,27,31)(H,28,30)
InChIKey PXAYPTBAERMUPD-UHFFFAOYSA-N
Molecular Weight 546.411 g/mol
SMILES N(c1c(C(Nc2ccc(cc2)Br)=O)c2c(s1)CN(CC2)C(=O)OCC)C(c1ccc(cc1)F)=O
SPLASH splash10-00di-4901010000-9af19a7380ff7077e50c
Synonyms 3-[(4-bromophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Ethyl 3-[(4-bromophenyl)carbamoyl]-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Ethyl 3-[(4-bromophenyl)carbamoyl]-2-[(4-fluorophenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Wiley ID 1461431