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

Systemtic Name: ethyl 4-[2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-methyl-6-(p-tolyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-methyl-6-(4-methylphenyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-methyl-6-(p-tolyl)pyrimidin-2-yl]thio]acetyl]amino]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)CSC2=NC(=CC(=N2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=C(C=C3)C

InChI

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