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

Systemtic Name: methyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-14-22-18(15-6-4-3-5-7-15)12-20(23-14)28-13-19(25)24-17-10-8-16(9-11-17)21(26)27-2/h3-12H,13H2,1-2H3,(H,24,25)