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

Systemtic Name: methyl 3-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

InChI

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