1-(4-methylphenyl)-N-(oxan-3-ylmethyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-(oxan-3-ylmethyl)-5-oxidanylidene-2-thiophen-2-yl-pyrrolidine-3-carboxamide Openeye Name: 5-oxo-1-(p-tolyl)-N-(tetrahydropyran-3-ylmethyl)-2-(2-thienyl)pyrrolidine-3-carboxamide CAS Name: 1-(4-methylphenyl)-N-(3-oxanylmethyl)-5-oxo-2-thiophen-2-yl-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-(oxan-3-ylmethyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide Traditional Name: 5-keto-1-(p-tolyl)-N-(tetrahydropyran-3-ylmethyl)-2-(2-thienyl)pyrrolidine-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3CCCOC3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3CCCOC3)C4=CC=CS4

InChI

InChI=1S/C22H26N2O3S/c1-15-6-8-17(9-7-15)24-20(25)12-18(21(24)19-5-3-11-28-19)22(26)23-13-16-4-2-10-27-14-16/h3,5-9,11,16,18,21H,2,4,10,12-14H2,1H3,(H,23,26)