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

Systemtic Name: dimethyl 2-[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H16BrN3O6S MolecularWeight: 506.32654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H16BrN3O6S/c1-28-18(26)12-6-7-14(19(27)29-2)15(9-12)22-16(25)10-31-20-24-23-17(30-20)11-4-3-5-13(21)8-11/h3-9H,10H2,1-2H3,(H,22,25)