ethyl 2-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 2-[[2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25N3O4S/c1-3-31-23(30)19-11-7-8-12-20(19)26-21(28)16-27-22(29)15-17(2)25-24(27)32-14-13-18-9-5-4-6-10-18/h4-12,15H,3,13-14,16H2,1-2H3,(H,26,28)