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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

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