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4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid
SpectraBase Compound ID TAmkXCCAW2
InChI InChI=1S/C13H16N2O4S/c14-12(19)11-7-3-1-2-4-8(7)20-13(11)15-9(16)5-6-10(17)18/h1-6H2,(H2,14,19)(H,15,16)(H,17,18)
InChIKey NANHAPIFVWUPQZ-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C13H16N2O4S
Exact Mass 296.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtYHSH9eX2d
Name 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid
Alternate Name(s) 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoic acid
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Formula C13H16N2O4S
InChI InChI=1S/C13H16N2O4S/c14-12(19)11-7-3-1-2-4-8(7)20-13(11)15-9(16)5-6-10(17)18/h1-6H2,(H2,14,19)(H,15,16)(H,17,18)
InChIKey NANHAPIFVWUPQZ-UHFFFAOYSA-N
Molecular Weight 296.341 g/mol
SMILES OC(CCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)=O
SPLASH splash10-004j-5910000000-b7bc7f5c9046110d8e2b
Wiley ID 1444854