ethyl 6-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-chloranyl-4-fluoranyl-phenyl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-chloro-4-fluoro-phenyl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-chloro-4-fluorophenyl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-chloro-4-fluoro-phenyl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18ClFN2O3S MolecularWeight: 372.842123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=CC(=C(C=C2)F)Cl)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=CC(=C(C=C2)F)Cl)C(=O)OCC

InChI

InChI=1S/C16H18ClFN2O3S/c1-3-12-14(15(21)23-4-2)13(20-16(22)19-12)8-24-9-5-6-11(18)10(17)7-9/h5-7,12H,3-4,8H2,1-2H3,(H2,19,20,22)