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

Systemtic Name: methyl 3-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3S/c1-26-20(25)15-8-5-9-16(10-15)23-18(24)12-27-19-11-17(21-13-22-19)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,23,24)