S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 4-fluoranylbenzenecarbothioate

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 4-fluoranylbenzenecarbothioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 4-fluorobenzenecarbothioate CAS Name: 4-fluorobenzenecarbothioic acid S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] ester IUPAC Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 4-fluorobenzenecarbothioate Traditional Name: 4-fluorothiobenzoic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C12H11FN2O2S MolecularWeight: 266.291343

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H11FN2O2S/c1-7-6-10(16)15-12(14-7)18-11(17)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15,16)/t7-/m0/s1