ethyl (4S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(2-chloranyl-6-fluoranyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-chloro-6-fluoro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chloro-6-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-chloro-6-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chloro-6-fluoro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16ClFN2O2S MolecularWeight: 390.858943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC=C2Cl)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=C(C=CC=C2Cl)F)C3=CC=CC=C3

InChI

InChI=1S/C19H16ClFN2O2S/c1-2-25-18(24)15-16(11-7-4-3-5-8-11)22-19(26)23-17(15)14-12(20)9-6-10-13(14)21/h3-10,17H,2H2,1H3,(H2,22,23,26)/t17-/m1/s1