(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c1-29-17-9-5-8-16(11-17)24-12-15(10-19(24)25)21(26)27-13-18-22-23-20(28-18)14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3/t15-/m0/s1