ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-chloro-4-fluoro-phenyl)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-chloro-4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-chloro-4-fluorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-chloro-4-fluoro-phenyl)-6-(4-hydroxy-3-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)O)OC)C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O4S/c1-4-29-20(27)18-11(2)25(13-6-7-15(23)14(22)10-13)21(30)24-19(18)12-5-8-16(26)17(9-12)28-3/h5-10,19,26H,4H2,1-3H3,(H,24,30)/t19-/m0/s1