[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C19H14BrNO5S MolecularWeight: 448.28716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H14BrNO5S/c1-23-15-5-3-12(20)7-14(15)18-21-13(9-27-18)8-24-19(22)11-2-4-16-17(6-11)26-10-25-16/h2-7,9H,8,10H2,1H3