3-chloranyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-morpholino-5-(trifluoromethyl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-morpholino-5-(trifluoromethyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H15ClF3N3O4S MolecularWeight: 485.86401

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClF3N3O4S/c21-16-12-2-1-3-15(27(29)30)17(12)32-18(16)19(28)25-13-10-11(20(22,23)24)4-5-14(13)26-6-8-31-9-7-26/h1-5,10H,6-9H2,(H,25,28)