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1-Benzothiophene-3-carboxylic acid, 2-[[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-, methyl ester

View entire compound with spectra: 1 MS (GC)

1-Benzothiophene-3-carboxylic acid, 2-[[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-, methyl ester
SpectraBase Compound ID 9uU4T8oN3oJ
InChI InChI=1S/C19H24N4O5S/c1-11-17(23(26)27)12(2)22(21-11)10-6-9-15(24)20-18-16(19(25)28-3)13-7-4-5-8-14(13)29-18/h4-10H2,1-3H3,(H,20,24)
InChIKey AGTQHECQSFONCL-UHFFFAOYSA-N
Mol Weight 420.48 g/mol
Molecular Formula C19H24N4O5S
Exact Mass 420.146741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSZFqxRYANf
Name 1-Benzothiophene-3-carboxylic acid, 2-[[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-, methyl ester
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Formula C19H24N4O5S
InChI InChI=1S/C19H24N4O5S/c1-11-17(23(26)27)12(2)22(21-11)10-6-9-15(24)20-18-16(19(25)28-3)13-7-4-5-8-14(13)29-18/h4-10H2,1-3H3,(H,20,24)
InChIKey AGTQHECQSFONCL-UHFFFAOYSA-N
Molecular Weight 420.484 g/mol
SMILES N(c1sc2CCCCc2c1C(OC)=O)C(=O)CCC[n]1nc(c(c1C)N(=O)=O)C
SPLASH splash10-03di-8980000000-5c04eafb2c68c03dc9cf
Source of Spectrum IY-1-4588-6
Synonyms 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Methyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1653869