O2-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl] ester O4-ethyl ester IUPAC Name: 2-O-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl] ester O4-ethyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C21H21BrN2O5S/c1-5-28-20(25)17-11(2)18(23-12(17)3)21(26)29-9-14-10-30-19(24-14)15-8-13(22)6-7-16(15)27-4/h6-8,10,23H,5,9H2,1-4H3