3-chloranyl-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C22H11ClFN3O4S MolecularWeight: 467.856843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H11ClFN3O4S/c23-18-14-2-1-3-16(27(29)30)19(14)32-20(18)21(28)25-13-8-9-17-15(10-13)26-22(31-17)11-4-6-12(24)7-5-11/h1-10H,(H,25,28)