3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl chloride

Systemtic Name: 3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl chloride Openeye Name: 3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl chloride CAS Name: 3-methyl-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butanoyl chloride IUPAC Name: 3-methyl-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl chloride Traditional Name: 3-methyl-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butyryl chloride Formula: C13H15ClN2O3S3 MolecularWeight: 378.9178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)Cl)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC

Isomeric SMILES

CC(C)C(C(=O)Cl)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC

InChI

InChI=1S/C13H15ClN2O3S3/c1-7(2)11(12(14)17)16-22(18,19)8-4-5-9-10(6-8)21-13(15-9)20-3/h4-7,11,16H,1-3H3