3-chloranyl-6-fluoranyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]benzothiophene-2-carboxamide Formula: C17H12ClFN2O4S MolecularWeight: 394.804583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)O)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClFN2O4S/c18-15-12-6-3-10(19)7-14(12)26-16(15)17(23)20-8-13(22)9-1-4-11(5-2-9)21(24)25/h1-7,13,22H,8H2,(H,20,23)