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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)F)C

InChI

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