methyl (6S)-6-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2C(=C(N(C(=S)N2)C3=CC=C(C=C3)F)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H]2C(=C(N(C(=S)N2)C3=CC=C(C=C3)F)C)C(=O)OC

InChI

InChI=1S/C21H21FN2O2S/c1-12-5-6-13(2)17(11-12)19-18(20(25)26-4)14(3)24(21(27)23-19)16-9-7-15(22)8-10-16/h5-11,19H,1-4H3,(H,23,27)/t19-/m0/s1