2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br)OC

InChI

InChI=1S/C16H14BrNO5S/c1-22-13-7-10(12(17)8-14(13)23-2)9-18-16(19)11-5-3-4-6-15(11)24(18,20)21/h3-8H,9H2,1-2H3