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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)F)Cl)C)C(=O)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)F)Cl)C)C(=O)OC)O

InChI

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