5-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one

Systemtic Name: 5-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Openeye Name: 5-[2-(4-bromobutoxy)-5-methoxy-phenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one CAS Name: 5-[2-(4-bromobutoxy)-5-methoxyphenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one IUPAC Name: 5-[2-(4-bromobutoxy)-5-methoxyphenyl]-4-methyl-2-methylsulfanyl-1,4-benzothiazin-3-one Traditional Name: 5-[2-(4-bromobutoxy)-5-methoxy-phenyl]-4-methyl-2-(methylthio)-1,4-benzothiazin-3-one Formula: C21H24BrNO3S2 MolecularWeight: 482.45416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(SC2=CC=CC(=C21)C3=C(C=CC(=C3)OC)OCCCCBr)SC

Isomeric SMILES

CN1C(=O)C(SC2=CC=CC(=C21)C3=C(C=CC(=C3)OC)OCCCCBr)SC

InChI

InChI=1S/C21H24BrNO3S2/c1-23-19-15(7-6-8-18(19)28-21(27-3)20(23)24)16-13-14(25-2)9-10-17(16)26-12-5-4-11-22/h6-10,13,21H,4-5,11-12H2,1-3H3