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

Systemtic Name: N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C21H23FN2O5S2 MolecularWeight: 466.546123

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)F

Isomeric SMILES

COCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC)F

InChI

InChI=1S/C21H23FN2O5S2/c1-28-13-12-24-20-17(22)5-3-6-18(20)30-21(24)23-19(25)7-4-14-31(26,27)16-10-8-15(29-2)9-11-16/h3,5-6,8-11H,4,7,12-14H2,1-2H3