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

Systemtic Name: N-[3-(2-ethoxyethyl)-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide CAS Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-propan-2-ylsulfonylbenzamide Traditional Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-isopropylsulfonyl-benzamide Formula: C21H22F2N2O4S2 MolecularWeight: 468.537186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F2N2O4S2/c1-4-29-10-9-25-19-17(23)11-15(22)12-18(19)30-21(25)24-20(26)14-5-7-16(8-6-14)31(27,28)13(2)3/h5-8,11-13H,4,9-10H2,1-3H3