methyl 2-[4-oxidanylidene-2-[(2-phenoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(2-phenoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(2-phenoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[(2-phenoxyphenyl)methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(2-phenoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[(2-phenoxybenzyl)thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-25-19(24)12-15-11-18(23)22-20(21-15)27-13-14-7-5-6-10-17(14)26-16-8-3-2-4-9-16/h2-11H,12-13H2,1H3,(H,21,22,23)