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2-([(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-yl)amino]carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID 4oEUnkj2AdQ
InChI InChI=1S/C15H16N2O3S2/c18-13(9-3-1-2-4-10(9)14(19)20)16-8-5-6-11-12(7-8)22-15(21)17-11/h5-7,9-10H,1-4H2,(H,16,18)(H,17,21)(H,19,20)
InChIKey SVAXLTBPRACIRP-UHFFFAOYSA-N
Mol Weight 336.42 g/mol
Molecular Formula C15H16N2O3S2
Exact Mass 336.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rfJMjAAS2D
Name 2-([(2-Thioxo-2,3-dihydro-1,3-benzothiazol-6-yl)amino]carbonyl)cyclohexanecarboxylic acid
Alternate Name(s) 2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid 2-[(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexanecarboxylic acid 2-[oxo-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methyl]-1-cyclohexanecarboxylic acid Cyclohexanecarboxylic acid, 2-(2,3-dihydro-2-thioxo-6-benzothiazolylaminocarbonyl)-
CAS Registry Number 309742-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O3S2
InChI InChI=1S/C15H16N2O3S2/c18-13(9-3-1-2-4-10(9)14(19)20)16-8-5-6-11-12(7-8)22-15(21)17-11/h5-7,9-10H,1-4H2,(H,16,18)(H,17,21)(H,19,20)
InChIKey SVAXLTBPRACIRP-UHFFFAOYSA-N
Molecular Weight 336.424 g/mol
SMILES N(C(C1C(C(=O)O)CCCC1)=O)c1cc2SC(Nc2cc1)=S
SPLASH splash10-001i-9700000000-49278023e3ed2504fbb3
Source of Spectrum AD-0-2532-0
Wiley ID 1433684