methyl 3-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O4S/c1-16-13-21(28)26(23(24-16)31-12-11-17-7-4-3-5-8-17)15-20(27)25-19-10-6-9-18(14-19)22(29)30-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,27)