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Methyl 2-{[(2-chloro-7-cyclopropyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-5-yl)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Methyl 2-{[(2-chloro-7-cyclopropyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-5-yl)carbonyl]amino}-3-(1H-indol-3-yl)propanoate
SpectraBase Compound ID 8PNpSALqsC8
InChI InChI=1S/C23H20ClN3O4S/c1-31-23(30)18(8-12-10-25-17-5-3-2-4-14(12)17)26-21(29)16-11-27(13-6-7-13)22-15(20(16)28)9-19(24)32-22/h2-5,9-11,13,18,25H,6-8H2,1H3,(H,26,29)
InChIKey IFENUNPMTBXLHW-UHFFFAOYSA-N
Mol Weight 469.94 g/mol
Molecular Formula C23H20ClN3O4S
Exact Mass 469.086305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiN5dH3ydQF
Name Methyl 2-{[(2-chloro-7-cyclopropyl-4-oxo-4,7-dihydrothieno[2,3-B]pyridin-5-yl)carbonyl]amino}-3-(1H-indol-3-yl)propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.086305006 u
Formula C23H20ClN3O4S
InChI InChI=1S/C23H20ClN3O4S/c1-31-23(30)18(8-12-10-25-17-5-3-2-4-14(12)17)26-21(29)16-11-27(13-6-7-13)22-15(20(16)28)9-19(24)32-22/h2-5,9-11,13,18,25H,6-8H2,1H3,(H,26,29)
InChIKey IFENUNPMTBXLHW-UHFFFAOYSA-N
Molecular Weight 469.943 g/mol
SMILES N(C(C=1C(C=2C=C(SC2N(C1)C1CC1)Cl)=O)=O)C(CC1=CNc2ccccc12)C(=O)OC