tert-butyl 2-[5-ethoxy-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-ethoxy-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-ethoxy-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[5-ethoxy-2-[(4-fluorophenyl)methylthio]-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-ethoxy-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[5-ethoxy-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C19H23FN2O4S MolecularWeight: 394.460323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CN(C(=NC1=O)SCC2=CC=C(C=C2)F)CC(=O)OC(C)(C)C

InChI

InChI=1S/C19H23FN2O4S/c1-5-25-15-10-22(11-16(23)26-19(2,3)4)18(21-17(15)24)27-12-13-6-8-14(20)9-7-13/h6-10H,5,11-12H2,1-4H3