dimethyl 5-[[4-(2-phenylsulfanylethoxy)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(2-phenylsulfanylethoxy)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-[2-(phenylthio)ethoxy]phenyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2-phenylsulfanylethoxy)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[2-(phenylthio)ethoxy]benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H23NO6S/c1-30-24(28)18-14-19(25(29)31-2)16-20(15-18)26-23(27)17-8-10-21(11-9-17)32-12-13-33-22-6-4-3-5-7-22/h3-11,14-16H,12-13H2,1-2H3,(H,26,27)