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

Systemtic Name: ethyl 4-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

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