(2R,3S)-1-butyl-N-(3-cyanothiophen-2-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (2R,3S)-1-butyl-N-(3-cyanothiophen-2-yl)-2-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (2R,3S)-1-butyl-N-(3-cyano-2-thienyl)-2-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (2R,3S)-1-butyl-N-(3-cyano-2-thiophenyl)-2-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (2R,3S)-1-butyl-N-(3-cyanothiophen-2-yl)-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (2R,3S)-1-butyl-N-(3-cyano-2-thienyl)-5-keto-2-(4-methoxyphenyl)pyrrolidine-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)NC2=C(C=CS2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CC1=O)C(=O)NC2=C(C=CS2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-3-4-10-24-18(25)12-17(19(24)14-5-7-16(27-2)8-6-14)20(26)23-21-15(13-22)9-11-28-21/h5-9,11,17,19H,3-4,10,12H2,1-2H3,(H,23,26)/t17-,19-/m0/s1