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

Systemtic Name: ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(4,6-diphenylpyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O3S/c1-3-34-27(33)22-14-16-23(17-15-22)29-26(32)19(2)35-28-30-24(20-10-6-4-7-11-20)18-25(31-28)21-12-8-5-9-13-21/h4-19H,3H2,1-2H3,(H,29,32)