N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C21H22FN3O6S2 MolecularWeight: 495.544283

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O6S2/c1-2-31-12-11-24-18-10-7-16(25(27)28)14-19(18)32-21(24)23-20(26)4-3-13-33(29,30)17-8-5-15(22)6-9-17/h5-10,14H,2-4,11-13H2,1H3