(2S)-N-(3-ethynylphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-ethynylphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-ethynylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3-ethynylphenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-ethynylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-ethynylphenyl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H16N2O2S MolecularWeight: 324.39684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C18H16N2O2S/c1-2-13-6-3-7-14(12-13)19-17(21)15-8-4-10-20(15)18(22)16-9-5-11-23-16/h1,3,5-7,9,11-12,15H,4,8,10H2,(H,19,21)/t15-/m0/s1