N-[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-4-fluoranyl-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-4-(p-tolylsulfonyl)butanamide CAS Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-4-tosyl-butyramide Formula: C22H25FN2O4S2 MolecularWeight: 464.573303

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)F

Isomeric SMILES

CCOCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)F

InChI

InChI=1S/C22H25FN2O4S2/c1-3-29-14-13-25-21-18(23)6-4-7-19(21)30-22(25)24-20(26)8-5-15-31(27,28)17-11-9-16(2)10-12-17/h4,6-7,9-12H,3,5,8,13-15H2,1-2H3