6-(4-bromanylbutanoyl)-3-methyl-1,3-benzothiazol-2-one

Systemtic Name: 6-(4-bromanylbutanoyl)-3-methyl-1,3-benzothiazol-2-one Openeye Name: 6-(4-bromobutanoyl)-3-methyl-1,3-benzothiazol-2-one CAS Name: 6-(4-bromo-1-oxobutyl)-3-methyl-1,3-benzothiazol-2-one IUPAC Name: 6-(4-bromobutanoyl)-3-methyl-1,3-benzothiazol-2-one Traditional Name: 6-(4-bromobutanoyl)-3-methyl-1,3-benzothiazol-2-one Formula: C12H12BrNO2S MolecularWeight: 314.19818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CCCBr)SC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CCCBr)SC1=O

InChI

InChI=1S/C12H12BrNO2S/c1-14-9-5-4-8(10(15)3-2-6-13)7-11(9)17-12(14)16/h4-5,7H,2-3,6H2,1H3