N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-[(4-fluorophenyl)thio]propionamide Formula: C20H20FN3O4S2 MolecularWeight: 449.518903

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O4S2/c1-2-28-11-10-23-17-13-15(24(26)27)5-8-18(17)30-20(23)22-19(25)9-12-29-16-6-3-14(21)4-7-16/h3-8,13H,2,9-12H2,1H3