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

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (5-phenyloxazol-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-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-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-phenyloxazol-2-yl)methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-29-18-9-5-8-17(11-18)24-13-16(10-21(24)25)22(26)27-14-20-23-12-19(28-20)15-6-3-2-4-7-15/h2-9,11-12,16H,10,13-14H2,1H3/t16-/m0/s1