(2S)-N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C18H18ClF3N4O2S MolecularWeight: 446.87433

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O2S/c19-12-9-11(18(20,21)22)10-25-15(12)23-5-6-24-16(27)13-3-1-7-26(13)17(28)14-4-2-8-29-14/h2,4,8-10,13H,1,3,5-7H2,(H,23,25)(H,24,27)/t13-/m0/s1