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

Systemtic Name: 2-[[2-(3-chloranylpropylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3-chloropropylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-(3-chloropropylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3-chloropropylsulfanyl)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(3-chloropropylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C15H19ClN2O4S3 MolecularWeight: 422.97036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCCCCl

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SCCCCl

InChI

InChI=1S/C15H19ClN2O4S3/c1-9(2)13(14(19)20)18-25(21,22)10-4-5-11-12(8-10)24-15(17-11)23-7-3-6-16/h4-5,8-9,13,18H,3,6-7H2,1-2H3,(H,19,20)