4-oxidanylidene-4-sulfanyl-2-[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-sulfanyl-2-[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]butanoic acid Openeye Name: 4-oxo-4-sulfanyl-2-[6-(1,1,3,3-tetramethylbutyl)-1,3-benzothiazol-2-yl]butanoic acid CAS Name: 4-mercapto-4-oxo-2-[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]butanoic acid IUPAC Name: 4-oxo-4-sulfanyl-2-[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]butanoic acid Traditional Name: 4-keto-4-mercapto-2-[6-(1,1,3,3-tetramethylbutyl)-1,3-benzothiazol-2-yl]butyric acid Formula: C19H25NO3S2 MolecularWeight: 379.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C19H25NO3S2/c1-18(2,3)10-19(4,5)11-6-7-13-14(8-11)25-16(20-13)12(17(22)23)9-15(21)24/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,23)