[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H12BrNO4S MolecularWeight: 406.25048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO4S/c1-22-15-5-3-10(6-12(15)18)14(20)8-23-17(21)11-2-4-13-16(7-11)24-9-19-13/h2-7,9H,8H2,1H3