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

Systemtic Name: 2-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-4-methyl-2-(2-oxidanylidenepropylamino)-1,4-benzothiazin-3-one Openeye Name: 2-(acetonylamino)-2-[2-(4-bromobutoxy)-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one CAS Name: 2-[2-(4-bromobutoxy)-5-methoxyphenyl]-4-methyl-2-(2-oxopropylamino)-1,4-benzothiazin-3-one IUPAC Name: 2-[2-(4-bromobutoxy)-5-methoxyphenyl]-4-methyl-2-(2-oxopropylamino)-1,4-benzothiazin-3-one Traditional Name: 2-(acetonylamino)-2-[2-(4-bromobutoxy)-5-methoxy-phenyl]-4-methyl-1,4-benzothiazin-3-one Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1(C(=O)N(C2=CC=CC=C2S1)C)C3=C(C=CC(=C3)OC)OCCCCBr

Isomeric SMILES

CC(=O)CNC1(C(=O)N(C2=CC=CC=C2S1)C)C3=C(C=CC(=C3)OC)OCCCCBr

InChI

InChI=1S/C23H27BrN2O4S/c1-16(27)15-25-23(22(28)26(2)19-8-4-5-9-21(19)31-23)18-14-17(29-3)10-11-20(18)30-13-7-6-12-24/h4-5,8-11,14,25H,6-7,12-13,15H2,1-3H3