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5-Amino-2-methyl-7-(4-nitrophenyl)-3-oxo-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid O6-butyl ester O8-methyl ester
SpectraBase Compound ID EPYs5ATQ5iK
InChI InChI=1S/C21H23N3O7S/c1-4-5-10-31-21(27)15-14(12-6-8-13(9-7-12)24(28)29)16(20(26)30-3)19-23(17(15)22)18(25)11(2)32-19/h6-9,11,14H,4-5,10,22H2,1-3H3
InChIKey FIORJANDUNVVQZ-UHFFFAOYSA-N
Mol Weight 461.49 g/mol
Molecular Formula C21H23N3O7S
Exact Mass 461.125671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LniVK3uTKN9
Name 5-Amino-2-methyl-7-(4-nitrophenyl)-3-oxo-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid O6-butyl ester O8-methyl ester
Alternate Name(s) 5-Amino-3-keto-2-methyl-7-(4-nitrophenyl)-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylic acid O6-butyl ester O8-methyl ester 6-Butyl 8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate 6-O-butyl 8-O-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate O6-butyl O8-methyl 5-amino-2-methyl-7-(4-nitrophenyl)-3-oxo-7H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate O6-butyl O8-methyl 5-azanyl-2-methyl-7-(4-nitrophenyl)-3-oxidanylidene-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
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Formula C21H23N3O7S
InChI InChI=1S/C21H23N3O7S/c1-4-5-10-31-21(27)15-14(12-6-8-13(9-7-12)24(28)29)16(20(26)30-3)19-23(17(15)22)18(25)11(2)32-19/h6-9,11,14H,4-5,10,22H2,1-3H3
InChIKey FIORJANDUNVVQZ-UHFFFAOYSA-N
Molecular Weight 461.489 g/mol
SMILES NC=1N2C(=C(C(=O)OC)C(C1C(=O)OCCCC)c1ccc(N(=O)=O)cc1)SC(C2=O)C
SPLASH splash10-0a4i-9422000000-92b3c58fcb83eb65fc1c
Wiley ID 1445645