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4-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-3,3-dimethylbutanoic acid
SpectraBase Compound ID 8HAFAvfwgge
InChI InChI=1S/C20H20N2O3S/c1-20(2,12-18(24)25)11-17(23)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-16(15)26-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25)
InChIKey ADIDPIZLSLBACM-UHFFFAOYSA-N
Mol Weight 368.45 g/mol
Molecular Formula C20H20N2O3S
Exact Mass 368.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESesgxFrDdW
Name 4-{[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl}-3,3-dimethylbutanoic acid
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Formula C20H20N2O3S
InChI InChI=1S/C20H20N2O3S/c1-20(2,12-18(24)25)11-17(23)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-16(15)26-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25)
InChIKey ADIDPIZLSLBACM-UHFFFAOYSA-N
Molecular Weight 368.451 g/mol
SMILES N(C(CC(CC(=O)O)(C)C)=O)c1ccc(-c2nc3ccccc3s2)cc1
SPLASH splash10-004i-5590000000-dece0b2368446dbfd5ef
Source of Spectrum IY-2-5171-2
Synonyms Pentanoic acid, 5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-3,3-dimethyl-5-oxo- 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxo-pentanoic acid 5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid
Wiley ID 1659695