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

Systemtic Name: 2-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(cyclohexylmethylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(cyclohexylmethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-(methylthio)butyric acid Formula: C19H26N2O4S4 MolecularWeight: 474.68074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCC3CCCCC3

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCC3CCCCC3

InChI

InChI=1S/C19H26N2O4S4/c1-26-10-9-16(18(22)23)21-29(24,25)14-7-8-15-17(11-14)28-19(20-15)27-12-13-5-3-2-4-6-13/h7-8,11,13,16,21H,2-6,9-10,12H2,1H3,(H,22,23)