(6-chloranylpyridin-3-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-(4-methylphenyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: (6-chloro-3-pyridyl)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 (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-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 (6-chloro-3-pyridyl)methyl ester Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O3S/c1-14-4-7-16(8-5-14)25-20(26)11-17(21(25)18-3-2-10-29-18)22(27)28-13-15-6-9-19(23)24-12-15/h2-10,12,17,21H,11,13H2,1H3