3-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C19H16ClFN2O5S MolecularWeight: 438.857143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H16ClFN2O5S/c1-27-14-7-10(13(23(25)26)9-15(14)28-2)5-6-22-19(24)18-17(20)12-4-3-11(21)8-16(12)29-18/h3-4,7-9H,5-6H2,1-2H3,(H,22,24)