(2R,3S)-1-(4-methylphenyl)-5-oxidanylidene-N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-pyrrolidine-3-carboxamide

Systemtic Name: (2R,3S)-1-(4-methylphenyl)-5-oxidanylidene-N-(pyridin-2-ylmethyl)-2-thiophen-2-yl-pyrrolidine-3-carboxamide Openeye Name: (2R,3S)-5-oxo-1-(p-tolyl)-N-(2-pyridylmethyl)-2-(2-thienyl)pyrrolidine-3-carboxamide CAS Name: (2R,3S)-1-(4-methylphenyl)-5-oxo-N-(2-pyridinylmethyl)-2-thiophen-2-yl-3-pyrrolidinecarboxamide IUPAC Name: (2R,3S)-1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpyrrolidine-3-carboxamide Traditional Name: (2R,3S)-5-keto-1-(p-tolyl)-N-(2-pyridylmethyl)-2-(2-thienyl)pyrrolidine-3-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CC2=O)C(=O)NCC3=CC=CC=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@H]([C@H](CC2=O)C(=O)NCC3=CC=CC=N3)C4=CC=CS4

InChI

InChI=1S/C22H21N3O2S/c1-15-7-9-17(10-8-15)25-20(26)13-18(21(25)19-6-4-12-28-19)22(27)24-14-16-5-2-3-11-23-16/h2-12,18,21H,13-14H2,1H3,(H,24,27)/t18-,21+/m0/s1