dimethyl 5-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C21H17BrN2O5S/c1-28-20(26)13-6-14(21(27)29-2)9-16(8-13)23-18(25)10-17-11-30-19(24-17)12-4-3-5-15(22)7-12/h3-9,11H,10H2,1-2H3,(H,23,25)