2-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-(4-bromanylbutoxy)-5-methoxy-phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one Openeye Name: 2-[2-(4-bromobutoxy)-5-methoxy-phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one CAS Name: 2-[2-(4-bromobutoxy)-5-methoxyphenyl]-4,7-dimethyl-1,4-benzothiazin-3-one IUPAC Name: 2-[2-(4-bromobutoxy)-5-methoxyphenyl]-4,7-dimethyl-1,4-benzothiazin-3-one Traditional Name: 2-[2-(4-bromobutoxy)-5-methoxy-phenyl]-4,7-dimethyl-1,4-benzothiazin-3-one Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(S2)C3=C(C=CC(=C3)OC)OCCCCBr)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(S2)C3=C(C=CC(=C3)OC)OCCCCBr)C

InChI

InChI=1S/C21H24BrNO3S/c1-14-6-8-17-19(12-14)27-20(21(24)23(17)2)16-13-15(25-3)7-9-18(16)26-11-5-4-10-22/h6-9,12-13,20H,4-5,10-11H2,1-3H3