tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C17H19FN2O3S MolecularWeight: 350.407763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=CC(=O)N=C1SCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=CC(=O)N=C1SCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O3S/c1-17(2,3)23-15(22)10-20-9-8-14(21)19-16(20)24-11-12-4-6-13(18)7-5-12/h4-9H,10-11H2,1-3H3