N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-fluoranyl-benzamide

Systemtic Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-fluoro-benzamide CAS Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide IUPAC Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-fluorobenzamide Traditional Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-fluoro-benzamide Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3COCCOC3)SC(=N2)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C2C(=C(C=C1)C3COCCOC3)SC(=N2)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN2O4S/c1-25-16-7-6-15(13-10-26-8-9-27-11-13)18-17(16)22-20(28-18)23-19(24)12-2-4-14(21)5-3-12/h2-7,13H,8-11H2,1H3,(H,22,23,24)