ethyl 4-(4-chlorophenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-[[(4-fluorophenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-[(4-fluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[[(4-fluorophenyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18ClFN2O3S MolecularWeight: 420.884923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18ClFN2O3S/c1-2-27-19(25)17-16(11-28-15-9-7-14(22)8-10-15)23-20(26)24-18(17)12-3-5-13(21)6-4-12/h3-10,18H,2,11H2,1H3,(H2,23,24,26)