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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: (5-methylisoxazol-3-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 (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-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 (5-methylisoxazol-3-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=NOC(=C3)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)OCC3=NOC(=C3)C)C4=CC=CS4

InChI

InChI=1S/C21H20N2O4S/c1-13-5-7-16(8-6-13)23-19(24)11-17(20(23)18-4-3-9-28-18)21(25)26-12-15-10-14(2)27-22-15/h3-10,17,20H,11-12H2,1-2H3