methyl 2-[2-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H16FN3O5S MolecularWeight: 393.389443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC)F

InChI

InChI=1S/C17H16FN3O5S/c1-9(22)19-10-3-4-12(13(18)5-10)14(23)8-27-17-20-11(6-15(24)21-17)7-16(25)26-2/h3-6H,7-8H2,1-2H3,(H,19,22)(H,20,21,24)