(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-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 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyridyl)thiazole-5-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H15BrN2O4S/c1-11-17(27-18(22-11)14-4-2-3-5-21-14)19(23)26-10-12-8-15-16(9-13(12)20)25-7-6-24-15/h2-5,8-9H,6-7,10H2,1H3