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

Systemtic Name: methyl 4-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(4,6-diphenylpyrimidin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O3S/c1-18(25(31)28-22-15-13-21(14-16-22)26(32)33-2)34-27-29-23(19-9-5-3-6-10-19)17-24(30-27)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,28,31)