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

Systemtic Name: methyl 2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=C(N=C2SC)C3=CC=CC=C3

InChI

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