dimethyl 2-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-bromobenzyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H18BrNO5S MolecularWeight: 452.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H18BrNO5S/c1-25-18(23)13-5-8-15(19(24)26-2)16(9-13)21-17(22)11-27-10-12-3-6-14(20)7-4-12/h3-9H,10-11H2,1-2H3,(H,21,22)