(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H18BrNO6S MolecularWeight: 492.33972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)OC

InChI

InChI=1S/C21H18BrNO6S/c1-25-16-4-3-12(7-17(16)26-2)20-23-15(11-30-20)21(24)29-10-13-8-18-19(9-14(13)22)28-6-5-27-18/h3-4,7-9,11H,5-6,10H2,1-2H3