methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-(2-methoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-(2-methoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-(2-methoxyphenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-4-ethyl-6-(3-fluorophenyl)-3-(2-methoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-4-ethyl-6-(3-fluorophenyl)-3-(2-methoxyphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-4-ethyl-6-(3-fluorophenyl)-3-(2-methoxyphenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(NC(=S)N1C2=CC=CC=C2OC)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1C2=CC=CC=C2OC)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C21H21FN2O3S/c1-4-15-18(20(25)27-3)19(13-8-7-9-14(22)12-13)23-21(28)24(15)16-10-5-6-11-17(16)26-2/h5-12,19H,4H2,1-3H3,(H,23,28)/t19-/m1/s1