methyl 4-[(4R)-5-ethanoyl-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4R)-5-ethanoyl-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4R)-5-acetyl-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4R)-5-acetyl-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-5-acetyl-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4R)-5-acetyl-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O3S/c1-11(24)16-17(12-3-5-14(6-4-12)19(25)26-2)22-20(27)23-18(16)13-7-9-15(21)10-8-13/h3-10,17H,1-2H3,(H2,22,23,27)/t17-/m1/s1