(2S)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(cyclopropanecarbonylamino)benzyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H23N3O3S/c25-19(15-8-9-15)23-16-5-1-4-14(12-16)13-22-20(26)17-6-2-10-24(17)21(27)18-7-3-11-28-18/h1,3-5,7,11-12,15,17H,2,6,8-10,13H2,(H,22,26)(H,23,25)/t17-/m0/s1