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2-(3-amino-2-methoxycarbonyl-benzothiophen-6-yl)sulfanylacetic acid
SpectraBase Compound ID 7BFsOMeM9BM
InChI InChI=1S/C12H11NO4S2/c1-17-12(16)11-10(13)7-3-2-6(4-8(7)19-11)18-5-9(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey CPDBJGICLLKUOX-UHFFFAOYSA-N
Mol Weight 297.34 g/mol
Molecular Formula C12H11NO4S2
Exact Mass 297.01295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0JhWWqpjH6
Name 2-(3-amino-2-methoxycarbonyl-benzothiophen-6-yl)sulfanylacetic acid
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Formula C12H11NO4S2
InChI InChI=1S/C12H11NO4S2/c1-17-12(16)11-10(13)7-3-2-6(4-8(7)19-11)18-5-9(14)15/h2-4H,5,13H2,1H3,(H,14,15)
InChIKey CPDBJGICLLKUOX-UHFFFAOYSA-N
Molecular Weight 297.343 g/mol
SMILES OC(CSc1cc2sc(c(c2cc1)N)C(=O)OC)=O
SPLASH splash10-0002-2490000000-590a64c2e96f7edbe2cb
Synonyms 2-[(3-amino-2-carbomethoxy-benzothiophen-6-yl)thio]acetic acid 2-[(3-amino-2-methoxycarbonyl-1-benzothiophen-6-yl)sulfanyl]acetic acid 2-[(3-amino-2-methoxycarbonyl-1-benzothiophen-6-yl)thio]acetic acid 2-[(3-azanyl-2-methoxycarbonyl-1-benzothiophen-6-yl)sulfanyl]ethanoic acid
Wiley ID 1452494