N-(5-chloranyl-2-fluoranyl-phenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanamide; ethanedioic acid

Systemtic Name: N-(5-chloranyl-2-fluoranyl-phenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethanamide; ethanedioic acid Openeye Name: N-(5-chloro-2-fluoro-phenyl)-2-[2-(2-thienyl)pyrrolidin-1-yl]acetamide; oxalic acid CAS Name: N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1-pyrrolidinyl)acetamide; oxalic acid IUPAC Name: N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide; oxalic acid Traditional Name: N-(5-chloro-2-fluoro-phenyl)-2-[2-(2-thienyl)pyrrolidino]acetamide; oxalic acid Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)F)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(N(C1)CC(=O)NC2=C(C=CC(=C2)Cl)F)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16ClFN2OS.C2H2O4/c17-11-5-6-12(18)13(9-11)19-16(21)10-20-7-1-3-14(20)15-4-2-8-22-15;3-1(4)2(5)6/h2,4-6,8-9,14H,1,3,7,10H2,(H,19,21);(H,3,4)(H,5,6)