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

Systemtic Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-3-28-22(27)17-9-11-18(12-10-17)25-21(26)15(2)29-20-13-19(23-14-24-20)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,25,26)