ethyl 4-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H23N3O3S/c1-3-29-23(28)18-9-11-19(12-10-18)26-21(27)13-14-30-22-15-20(24-16(2)25-22)17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,26,27)