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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-tert-butyl-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-tert-butyl-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-tert-butyl-N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C21H22F2N2O2S MolecularWeight: 404.473386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CCOC

InChI

InChI=1S/C21H22F2N2O2S/c1-21(2,3)14-7-5-13(6-8-14)19(26)24-20-25(9-10-27-4)18-16(23)11-15(22)12-17(18)28-20/h5-8,11-12H,9-10H2,1-4H3