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

Systemtic Name: ethyl (4S)-6-[(4-fluorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-fluorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(4-fluorophenyl)thio]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-fluorophenyl)sulfanylmethyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(4-fluorophenyl)thio]methyl]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4S/c1-3-28-20(25)18-17(12-29-16-10-6-14(22)7-11-16)23-21(26)24-19(18)13-4-8-15(27-2)9-5-13/h4-11,19H,3,12H2,1-2H3,(H2,23,24,26)/t19-/m0/s1