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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

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