ethyl 4-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O4S/c1-3-29-21(28)16-9-11-17(12-10-16)24-19(26)14-30-22-23-15(2)13-20(27)25(22)18-7-5-4-6-8-18/h4-13H,3,14H2,1-2H3,(H,24,26)