1-(2,5-dimethoxyphenyl)-5-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-5-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2,5-dimethoxyphenyl)-5-oxo-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(2,5-dimethoxyphenyl)-5-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2,5-dimethoxyphenyl)-5-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2,5-dimethoxyphenyl)-5-keto-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrrolidine-3-carboxamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H22N2O4S/c1-30-20-9-11-23(31-2)22(15-20)27-16-18(14-24(27)28)25(29)26-19-6-3-5-17(13-19)8-10-21-7-4-12-32-21/h3-7,9,11-13,15,18H,14,16H2,1-2H3,(H,26,29)