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

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-propyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(4-fluorophenyl)-4-propyl-2-sulfanylidene-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-propyl-2-sulfanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-propyl-6-(3-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H21FN2O2S2 MolecularWeight: 404.521343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CSC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C2=CC=C(C=C2)F)C3=CSC=C3)C(=O)OCC

InChI

InChI=1S/C20H21FN2O2S2/c1-3-5-16-17(19(24)25-4-2)18(13-10-11-27-12-13)22-20(26)23(16)15-8-6-14(21)7-9-15/h6-12,18H,3-5H2,1-2H3,(H,22,26)