(2-bromanyl-4,5-dimethoxy-phenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C17H14BrNO4S MolecularWeight: 408.26636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)N=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)N=CS3)Br)OC

InChI

InChI=1S/C17H14BrNO4S/c1-21-14-5-11(12(18)7-15(14)22-2)8-23-17(20)10-3-4-13-16(6-10)24-9-19-13/h3-7,9H,8H2,1-2H3