dimethyl 2-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H19BrN2O6S/c1-28-19(26)12-3-8-15(20(27)29-2)16(9-12)23-18(25)11-30-10-17(24)22-14-6-4-13(21)5-7-14/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)