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

Systemtic Name: tert-butyl 2-[5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[5-chloro-2-[(4-fluorophenyl)methylthio]-4-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-chloro-2-[(4-fluorophenyl)methylsulfanyl]-4-oxopyrimidin-1-yl]acetate Traditional Name: 2-[5-chloro-2-[(4-fluorobenzyl)thio]-4-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C17H18ClFN2O3S MolecularWeight: 384.852823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN2O3S/c1-17(2,3)24-14(22)9-21-8-13(18)15(23)20-16(21)25-10-11-4-6-12(19)7-5-11/h4-8H,9-10H2,1-3H3