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

*Links on SpectraBase are not permalinks.
Methyl 2-{[(2-chloro-7-cyclopropyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-5-yl)carbonyl]amino}-4-methylpentanoate
SpectraBase Compound ID 8Y1iqxbnV5D
InChI InChI=1S/C18H21ClN2O4S/c1-9(2)6-13(18(24)25-3)20-16(23)12-8-21(10-4-5-10)17-11(15(12)22)7-14(19)26-17/h7-10,13H,4-6H2,1-3H3,(H,20,23)
InChIKey SETPKKNWSXAXRO-UHFFFAOYSA-N
Mol Weight 396.89 g/mol
Molecular Formula C18H21ClN2O4S
Exact Mass 396.091056 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 HxZwiecbtoN
Name Methyl 2-{[(2-chloro-7-cyclopropyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-5-yl)carbonyl]amino}-4-methylpentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClN2O4S
InChI InChI=1S/C18H21ClN2O4S/c1-9(2)6-13(18(24)25-3)20-16(23)12-8-21(10-4-5-10)17-11(15(12)22)7-14(19)26-17/h7-10,13H,4-6H2,1-3H3,(H,20,23)
InChIKey SETPKKNWSXAXRO-UHFFFAOYSA-N
Molecular Weight 396.889 g/mol
SMILES N(C(C=1C(c2c(sc(c2)Cl)N(C1)C1CC1)=O)=O)C(C(=O)OC)CC(C)C
SPLASH splash10-0udu-5298000000-226491854fe765b624ae
Wiley ID 1474193