2-(4-bromanylbutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one

Systemtic Name: 2-(4-bromanylbutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one Openeye Name: 2-(4-bromobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one CAS Name: 2-(4-bromobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 2-(4-bromobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one Traditional Name: 2-(4-bromobutyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC(C1=O)(CCCCBr)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2SC(C1=O)(CCCCBr)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24BrNO3S/c1-23-16-8-4-5-9-19(16)27-21(20(23)24,12-6-7-13-22)15-10-11-17(25-2)18(14-15)26-3/h4-5,8-11,14H,6-7,12-13H2,1-3H3