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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H16BrNO5S MolecularWeight: 462.31374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrNO5S/c1-24-14-4-2-12(3-5-14)19-22-16(11-28-19)20(23)27-10-13-8-17-18(9-15(13)21)26-7-6-25-17/h2-5,8-9,11H,6-7,10H2,1H3