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

Systemtic Name: methyl (6S)-6-(3-fluorophenyl)-4-methyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-benzyl-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-fluorophenyl)-4-methyl-3-(phenylmethyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-benzyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-benzyl-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC2=CC=CC=C2)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1CC2=CC=CC=C2)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C20H19FN2O2S/c1-13-17(19(24)25-2)18(15-9-6-10-16(21)11-15)22-20(26)23(13)12-14-7-4-3-5-8-14/h3-11,18H,12H2,1-2H3,(H,22,26)/t18-/m0/s1