4-[(6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoate

Systemtic Name: 4-[(6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoate Openeye Name: 4-[(6S)-6-(2-chloro-6-fluoro-phenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate CAS Name: 4-[(6S)-6-(2-chloro-6-fluorophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate IUPAC Name: 4-[(6S)-6-(2-chloro-6-fluorophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoate Traditional Name: 4-[(6S)-5-carbethoxy-6-(2-chloro-6-fluoro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyrate Formula: C18H19ClFN2O5- MolecularWeight: 397.805263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC=C2Cl)F)CCCC(=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=C(C=CC=C2Cl)F)CCCC(=O)[O-])C

InChI

InChI=1S/C18H20ClFN2O5/c1-3-27-17(25)14-10(2)22(9-5-8-13(23)24)18(26)21-16(14)15-11(19)6-4-7-12(15)20/h4,6-7,16H,3,5,8-9H2,1-2H3,(H,21,26)(H,23,24)/p-1/t16-/m0/s1