(3-fluoranyl-4-methoxy-phenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H20FNO4S MolecularWeight: 389.440503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)SC)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)SC)F

InChI

InChI=1S/C20H20FNO4S/c1-25-18-7-6-13(8-17(18)21)12-26-20(24)14-9-19(23)22(11-14)15-4-3-5-16(10-15)27-2/h3-8,10,14H,9,11-12H2,1-2H3/t14-/m0/s1