(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c1-15(16-6-8-17(9-7-16)24-12-10-22-14-24)23-20(26)18-4-2-11-25(18)21(27)19-5-3-13-28-19/h3,5-10,12-15,18H,2,4,11H2,1H3,(H,23,26)/t15?,18-/m0/s1