(2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1-[4-(propanoylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1-(4-propionamidophenyl)ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O3S/c1-3-19(25)23-16-10-8-15(9-11-16)14(2)22-20(26)17-6-4-12-24(17)21(27)18-7-5-13-28-18/h5,7-11,13-14,17H,3-4,6,12H2,1-2H3,(H,22,26)(H,23,25)/t14?,17-/m0/s1