3-chloranyl-6-fluoranyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-(2-hydroxy-5-nitro-benzyl)benzothiophene-2-carboxamide Formula: C16H10ClFN2O4S MolecularWeight: 380.778003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClFN2O4S/c17-14-11-3-1-9(18)6-13(11)25-15(14)16(22)19-7-8-5-10(20(23)24)2-4-12(8)21/h1-6,21H,7H2,(H,19,22)