N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C22H25FN2O6S2 MolecularWeight: 496.572103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O6S2/c1-29-11-10-25-17-13-18(30-2)19(31-3)14-20(17)32-22(25)24-21(26)5-4-12-33(27,28)16-8-6-15(23)7-9-16/h6-9,13-14H,4-5,10-12H2,1-3H3