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Thieno[2,3-b]pyridine-2-carboxylic acid, 3-(2-methoxybenzoylamino)-4,6-dimethyl-, ethyl ester
SpectraBase Compound ID 30wKDebcrdj
InChI InChI=1S/C20H20N2O4S/c1-5-26-20(24)17-16(15-11(2)10-12(3)21-19(15)27-17)22-18(23)13-8-6-7-9-14(13)25-4/h6-10H,5H2,1-4H3,(H,22,23)
InChIKey LDXZVCHPVOQHDG-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C20H20N2O4S
Exact Mass 384.114378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4tsFbhrq9Kr
Name Thieno[2,3-B]pyridine-2-carboxylic acid, 3-(2-methoxybenzoylamino)-4,6-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.114378302 u
Formula C20H20N2O4S
InChI InChI=1S/C20H20N2O4S/c1-5-26-20(24)17-16(15-11(2)10-12(3)21-19(15)27-17)22-18(23)13-8-6-7-9-14(13)25-4/h6-10H,5H2,1-4H3,(H,22,23)
InChIKey LDXZVCHPVOQHDG-UHFFFAOYSA-N
Molecular Weight 384.450 g/mol
SMILES C1(=C(C2=C(C=C(N=C2S1)C)C)NC(C1=CC=CC=C1OC)=O)C(=O)OCC