ethyl 2-[2-(2-bromanyl-1-oxidanyl-ethyl)-5-ethoxy-6-(4-ethoxycarbonyl-1,3-thiazol-2-yl)pyridin-3-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-1-oxidanyl-ethyl)-5-ethoxy-6-(4-ethoxycarbonyl-1,3-thiazol-2-yl)pyridin-3-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[2-(2-bromo-1-hydroxy-ethyl)-5-ethoxy-6-(4-ethoxycarbonylthiazol-2-yl)-3-pyridyl]thiazole-4-carboxylate CAS Name: 2-[2-(2-bromo-1-hydroxyethyl)-5-ethoxy-6-(4-ethoxycarbonyl-2-thiazolyl)-3-pyridinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-bromo-1-hydroxyethyl)-5-ethoxy-6-(4-ethoxycarbonyl-1,3-thiazol-2-yl)pyridin-3-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-(2-bromo-1-hydroxy-ethyl)-6-(4-carbethoxythiazol-2-yl)-5-ethoxy-3-pyridyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H22BrN3O6S2 MolecularWeight: 556.44988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C(C(=C1)C2=NC(=CS2)C(=O)OCC)C(CBr)O)C3=NC(=CS3)C(=O)OCC

Isomeric SMILES

CCOC1=C(N=C(C(=C1)C2=NC(=CS2)C(=O)OCC)C(CBr)O)C3=NC(=CS3)C(=O)OCC

InChI

InChI=1S/C21H22BrN3O6S2/c1-4-29-15-7-11(18-23-12(9-32-18)20(27)30-5-2)16(14(26)8-22)25-17(15)19-24-13(10-33-19)21(28)31-6-3/h7,9-10,14,26H,4-6,8H2,1-3H3