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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)

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SpectraBase Spectrum ID CXOU2IN8iox
Name
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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 396.0906
SMILES N(C(CC(C)C)C(OC)=O)C(=O)C1=CN(C2CC2)c2c(C1=O)cc(Cl)s2
SPLASH splash10-0udu-5298000000-13577c8a1bb0833f117c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany