4-fluoranyl-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzothiophene-2-carboxamide Formula: C17H13FN2O4S MolecularWeight: 360.359523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NC[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O)F

InChI

InChI=1S/C17H13FN2O4S/c18-13-2-1-3-15-12(13)8-16(25-15)17(22)19-9-14(21)10-4-6-11(7-5-10)20(23)24/h1-8,14,21H,9H2,(H,19,22)/t14-/m1/s1