dimethyl 2-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[4-(p-tolylsulfanylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[4-[(p-tolylthio)methyl]benzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H23NO5S/c1-16-4-11-20(12-5-16)32-15-17-6-8-18(9-7-17)23(27)26-22-14-19(24(28)30-2)10-13-21(22)25(29)31-3/h4-14H,15H2,1-3H3,(H,26,27)