2-[2-(5-bromanylpentoxy)-5-methoxy-phenyl]-4-(5-bromanylpentyl)-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-(5-bromanylpentoxy)-5-methoxy-phenyl]-4-(5-bromanylpentyl)-1,4-benzothiazin-3-one Openeye Name: 2-[2-(5-bromopentoxy)-5-methoxy-phenyl]-4-(5-bromopentyl)-1,4-benzothiazin-3-one CAS Name: 2-[2-(5-bromopentoxy)-5-methoxyphenyl]-4-(5-bromopentyl)-1,4-benzothiazin-3-one IUPAC Name: 2-[2-(5-bromopentoxy)-5-methoxyphenyl]-4-(5-bromopentyl)-1,4-benzothiazin-3-one Traditional Name: 2-[2-(5-bromopentoxy)-5-methoxy-phenyl]-4-(5-bromopentyl)-1,4-benzothiazin-3-one Formula: C25H31Br2NO3S MolecularWeight: 585.39154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCCCCCBr)C2C(=O)N(C3=CC=CC=C3S2)CCCCCBr

Isomeric SMILES

COC1=CC(=C(C=C1)OCCCCCBr)C2C(=O)N(C3=CC=CC=C3S2)CCCCCBr

InChI

InChI=1S/C25H31Br2NO3S/c1-30-19-12-13-22(31-17-9-3-7-15-27)20(18-19)24-25(29)28(16-8-2-6-14-26)21-10-4-5-11-23(21)32-24/h4-5,10-13,18,24H,2-3,6-9,14-17H2,1H3