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3-thiophenecarboxylic acid, 2-[[[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-4-methyl-5-phenyl-, ethyl ester
SpectraBase Compound ID HUTS62aska5
InChI InChI=1S/C23H20ClN5O3S2/c1-3-32-22(31)19-14(2)20(15-7-5-4-6-8-15)34-21(19)25-18(30)13-33-23-26-27-28-29(23)17-11-9-16(24)10-12-17/h4-12H,3,13H2,1-2H3,(H,25,30)
InChIKey ICVUOYGQUCFCQH-UHFFFAOYSA-N
Mol Weight 514.02 g/mol
Molecular Formula C23H20ClN5O3S2
Exact Mass 513.06961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KArokEcbhb
Name 2-[[2-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester
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Formula C23H20ClN5O3S2
InChI InChI=1S/C23H20ClN5O3S2/c1-3-32-22(31)19-14(2)20(15-7-5-4-6-8-15)34-21(19)25-18(30)13-33-23-26-27-28-29(23)17-11-9-16(24)10-12-17/h4-12H,3,13H2,1-2H3,(H,25,30)
InChIKey ICVUOYGQUCFCQH-UHFFFAOYSA-N
Molecular Weight 514.018 g/mol
SMILES N(c1c(c(C)c(s1)-c1ccccc1)C(=O)OCC)C(=O)CSc1[n](nnn1)-c1ccc(cc1)Cl
SPLASH splash10-0ufr-4950000000-8b40df31e3032e5933c4
Synonyms 2-[[2-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Ethyl 2-[2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-4-methyl-5-phenyl-thiophene-3-carboxylate Ethyl 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate
Wiley ID 1462721