N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide CAS Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide Formula: C21H21F2N3O5S2 MolecularWeight: 497.535346

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F)F

Isomeric SMILES

COCCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F)F

InChI

InChI=1S/C21H21F2N3O5S2/c1-30-9-8-26-19-17(23)12-15(22)13-18(19)32-21(26)24-20(27)14-2-4-16(5-3-14)33(28,29)25-6-10-31-11-7-25/h2-5,12-13H,6-11H2,1H3