2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(hexylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-(methylthio)butyric acid Formula: C18H26N2O4S4 MolecularWeight: 462.67004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C18H26N2O4S4/c1-3-4-5-6-10-26-18-19-14-8-7-13(12-16(14)27-18)28(23,24)20-15(17(21)22)9-11-25-2/h7-8,12,15,20H,3-6,9-11H2,1-2H3,(H,21,22)