bis(phenylmethyl) 5-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-[[2-(4-pyridylmethylsulfanyl)pyridine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[2-(pyridin-4-ylmethylthio)-3-pyridinyl]methyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-[[2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-pyridylmethylthio)nicotinoyl]amino]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C34H27N3O5S MolecularWeight: 589.66028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H27N3O5S/c38-31(30-12-7-15-36-32(30)43-23-26-13-16-35-17-14-26)37-29-19-27(33(39)41-21-24-8-3-1-4-9-24)18-28(20-29)34(40)42-22-25-10-5-2-6-11-25/h1-20H,21-23H2,(H,37,38)