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3-Amino-4-[(4-chlorobenzyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID Iin0mzZH77G
InChI InChI=1S/C17H13ClN2O4S2/c1-24-17(21)16-15(19)14-12(6-11(20(22)23)7-13(14)26-16)25-8-9-2-4-10(18)5-3-9/h2-7H,8,19H2,1H3
InChIKey JCPWTUMNHIKBPD-UHFFFAOYSA-N
Mol Weight 408.87 g/mol
Molecular Formula C17H13ClN2O4S2
Exact Mass 408.000527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIeOlboG5wX
Name 3-Amino-4-[(4-chlorobenzyl)thio]-6-nitro-benzothiophene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2O4S2
InChI InChI=1S/C17H13ClN2O4S2/c1-24-17(21)16-15(19)14-12(6-11(20(22)23)7-13(14)26-16)25-8-9-2-4-10(18)5-3-9/h2-7H,8,19H2,1H3
InChIKey JCPWTUMNHIKBPD-UHFFFAOYSA-N
Molecular Weight 408.874 g/mol
SMILES Nc1c(sc2cc(N(=O)=O)cc(c12)SCc1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-004i-3900100000-8eaa6a466251e0d677cd
Synonyms 3-Amino-4-[(4-chlorophenyl)methylthio]-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester Methyl 3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-benzothiophene-2-carboxylate Methyl 3-azanyl-4-[(4-chlorophenyl)methylsulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Wiley ID 1462826