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

Systemtic Name: (phenylmethyl) 3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 3-(4-fluorophenyl)-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-fluorophenyl)-4-methyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-methyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C23H19FN2O2S2 MolecularWeight: 438.537563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CSC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19FN2O2S2/c1-15-20(22(27)28-13-16-5-3-2-4-6-16)21(17-11-12-30-14-17)25-23(29)26(15)19-9-7-18(24)8-10-19/h2-12,14,21H,13H2,1H3,(H,25,29)