[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxo-ethyl] 4-methyl-2-(2-pyridyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(2-pyridinyl)-5-thiazolecarboxylic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-pyridyl)thiazole-5-carboxylic acid [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-2-keto-ethyl] ester Formula: C20H16BrN3O5S MolecularWeight: 490.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)OCC(=O)NC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H16BrN3O5S/c1-11-18(30-19(23-11)13-4-2-3-5-22-13)20(26)29-10-17(25)24-14-9-16-15(8-12(14)21)27-6-7-28-16/h2-5,8-9H,6-7,10H2,1H3,(H,24,25)