2-[(2-dodecylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-dodecylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-dodecylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-(dodecylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-dodecylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(laurylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C24H38N2O4S3 MolecularWeight: 514.76452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C24H38N2O4S3/c1-4-5-6-7-8-9-10-11-12-13-16-31-24-25-20-15-14-19(17-21(20)32-24)33(29,30)26-22(18(2)3)23(27)28/h14-15,17-18,22,26H,4-13,16H2,1-3H3,(H,27,28)