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

Systemtic Name: methyl 3-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]benzoate Openeye Name: methyl 3-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]benzoate CAS Name: 3-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]benzoate Traditional Name: 3-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]benzoic acid methyl 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)OC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

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