N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoranyl-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoranyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluorobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluorobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-fluoro-benzamide Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O4S/c1-2-26-10-9-21-15-8-7-14(22(24)25)11-16(15)27-18(21)20-17(23)12-3-5-13(19)6-4-12/h3-8,11H,2,9-10H2,1H3