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

Systemtic Name: ethyl 4-[2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-(4-chlorophenyl)-6-methyl-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(4-chlorophenyl)-6-methyl-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H20ClN3O3S MolecularWeight: 441.9305

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c1-3-29-21(28)16-6-10-18(11-7-16)25-20(27)13-30-22-24-14(2)12-19(26-22)15-4-8-17(23)9-5-15/h4-12H,3,13H2,1-2H3,(H,25,27)