ethyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate Traditional Name: 3-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3S/c1-3-20(22(27)26-18-12-8-11-17(13-18)23(28)29-4-2)30-21-14-19(24-15-25-21)16-9-6-5-7-10-16/h5-15,20H,3-4H2,1-2H3,(H,26,27)