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

Systemtic Name: ethyl (4S)-6-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3-chloro-4-fluoro-phenyl)sulfonylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3-chloro-4-fluoro-phenyl)sulfonylmethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18ClFN2O5S MolecularWeight: 452.883723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O5S/c1-2-29-19(25)17-16(11-30(27,28)13-8-9-15(22)14(21)10-13)23-20(26)24-18(17)12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H2,23,24,26)/t18-/m0/s1