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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC2=CC=CC=C2Br

InChI

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