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1-Benzothiophene-2-carboxylic acid, 6-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester

View entire compound with spectra: 1 MS (GC)

1-Benzothiophene-2-carboxylic acid, 6-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester
SpectraBase Compound ID 8FZZyQKxdiN
InChI InChI=1S/C21H17F3N2O5S2/c1-30-12-5-3-11(4-6-12)25-16(27)10-32-13-7-8-14-15(9-13)33-18(19(28)31-2)17(14)26-20(29)21(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)(H,26,29)
InChIKey VSNYCZLCPJBGNH-UHFFFAOYSA-N
Mol Weight 498.49 g/mol
Molecular Formula C21H17F3N2O5S2
Exact Mass 498.053098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ta0gq1739J
Name 1-Benzothiophene-2-carboxylic acid, 6-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-3-[(2,2,2-trifluoroacetyl)amino]-, methyl ester
Alternate Name(s) Methyl 6-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-3-(2,2,2-trifluoroacetamido)-1-benzothiophene-2-carboxylate 6-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-3-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-benzothiophene-2-carboxylic acid methyl ester Methyl 6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-3-[(2,2,2-trifluoroacetyl)amino]-1-benzothiophene-2-carboxylate Methyl 6-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-3-[(2,2,2-trifluoroacetyl)amino]benzothiophene-2-carboxylate Methyl 6-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]-1-benzothiophene-2-carboxylate
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Formula C21H17F3N2O5S2
InChI InChI=1S/C21H17F3N2O5S2/c1-30-12-5-3-11(4-6-12)25-16(27)10-32-13-7-8-14-15(9-13)33-18(19(28)31-2)17(14)26-20(29)21(22,23)24/h3-9H,10H2,1-2H3,(H,25,27)(H,26,29)
InChIKey VSNYCZLCPJBGNH-UHFFFAOYSA-N
Molecular Weight 498.491 g/mol
SMILES N(c1c(sc2c1ccc(SCC(=O)Nc1ccc(cc1)OC)c2)C(OC)=O)C(=O)C(F)(F)F
SPLASH splash10-00di-6900000000-ed2d31fb51552cdaaaac
Source of Spectrum IY-2-5051-9
Wiley ID 1658502