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({4,6-dimethyl-2-[methyl(phenyl)carbamoyl]thieno[2,3-b]pyridin-3-yl}carbamoyl)methyl acetate
SpectraBase Compound ID m6qPGt2p3z
InChI InChI=1S/C21H21N3O4S/c1-12-10-13(2)22-20-17(12)18(23-16(26)11-28-14(3)25)19(29-20)21(27)24(4)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,23,26)
InChIKey PQMXFRQISUHZKV-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47jepyCyJtU
Name ({4,6-dimethyl-2-[methyl(phenyl)carbamoyl]thieno[2,3-b]pyridin-3-yl}carbamoyl)methyl acetate
Alternate Name(s) Acetic acid, 2-[[4,6-dimethyl-2-[(methylphenylamino)carbonyl]thieno[2,3-b]pyridin-3-yl]amino]-2-oxoethyl ester Acetic acid [2-[[4,6-dimethyl-2-[(N-methylanilino)-oxomethyl]-3-thieno[2,3-b]pyridinyl]amino]-2-oxoethyl] ester [2-[[4,6-dimethyl-2-[methyl(phenyl)carbamoyl]thieno[2,3-b]pyridin-3-yl]amino]-2-oxoethyl] acetate [2-[[4,6-dimethyl-2-[methyl(phenyl)carbamoyl]thieno[2,3-b]pyridin-3-yl]amino]-2-oxo-ethyl] acetate [2-[[4,6-dimethyl-2-[methyl(phenyl)carbamoyl]thieno[2,3-b]pyridin-3-yl]amino]-2-oxidanylidene-ethyl] ethanoate
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Formula C21H21N3O4S
InChI InChI=1S/C21H21N3O4S/c1-12-10-13(2)22-20-17(12)18(23-16(26)11-28-14(3)25)19(29-20)21(27)24(4)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,23,26)
InChIKey PQMXFRQISUHZKV-UHFFFAOYSA-N
Molecular Weight 411.476 g/mol
SMILES N(c1c(sc2nc(C)cc(c12)C)C(N(c1ccccc1)C)=O)C(=O)COC(=O)C
SPLASH splash10-0cdm-4971000000-b10ba9c9e4a191bfb2bc
Source of Spectrum IY-2-5076-9
Wiley ID 1658752