methyl 4-[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(4,6-diphenylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C28H23N3O5S MolecularWeight: 513.56432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H23N3O5S/c1-35-27(34)21-12-14-22(15-13-21)29-25(32)17-36-26(33)18-37-28-30-23(19-8-4-2-5-9-19)16-24(31-28)20-10-6-3-7-11-20/h2-16H,17-18H2,1H3,(H,29,32)