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

Systemtic Name: methyl 4-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-14-12-19(26)24(17-6-4-3-5-7-17)21(22-14)29-13-18(25)23-16-10-8-15(9-11-16)20(27)28-2/h3-12H,13H2,1-2H3,(H,23,25)