dimethyl 5-[2-(4-bromophenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-bromophenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-bromophenyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16BrNO5S MolecularWeight: 438.29234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H16BrNO5S/c1-24-17(22)11-7-12(18(23)25-2)9-14(8-11)20-16(21)10-26-15-5-3-13(19)4-6-15/h3-9H,10H2,1-2H3,(H,20,21)