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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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