(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 5-oxo-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=C(ON=C3C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=C(ON=C3C)C)C4=CC=CS4

InChI

InChI=1S/C22H22N2O4S/c1-13-6-8-16(9-7-13)24-20(25)11-17(21(24)19-5-4-10-29-19)22(26)27-12-18-14(2)23-28-15(18)3/h4-10,17,21H,11-12H2,1-3H3