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

Systemtic Name: 4-methylsulfanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Traditional Name: 2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-(methylthio)butyric acid Formula: C17H24N2O4S4 MolecularWeight: 448.64346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C17H24N2O4S4/c1-3-4-5-9-25-17-18-13-7-6-12(11-15(13)26-17)27(22,23)19-14(16(20)21)8-10-24-2/h6-7,11,14,19H,3-5,8-10H2,1-2H3,(H,20,21)