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

Systemtic Name: methyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-methoxy-4-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H18ClFN2O4S MolecularWeight: 436.884323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC(=C(C=C3)O)OC)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC(=C(C=C3)O)OC)C(=O)OC

InChI

InChI=1S/C20H18ClFN2O4S/c1-10-17(19(26)28-3)18(11-4-7-15(25)16(8-11)27-2)23-20(29)24(10)12-5-6-14(22)13(21)9-12/h4-9,18,25H,1-3H3,(H,23,29)/t18-/m0/s1