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

Systemtic Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-methoxy-pyridine-4-carboxamide Openeye Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-methoxy-pyridine-4-carboxamide CAS Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-methoxy-4-pyridinecarboxamide IUPAC Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-methoxypyridine-4-carboxamide Traditional Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-2-methoxy-isonicotinamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-25-15-4-3-14(13-10-27-7-8-28-11-13)18-17(15)22-20(29-18)23-19(24)12-5-6-21-16(9-12)26-2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,22,23,24)