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

Systemtic Name: 2-ethoxy-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Openeye Name: 2-ethoxy-N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide CAS Name: 2-ethoxy-N-[4-methoxy-7-(4-oxanyl)-1,3-benzothiazol-2-yl]-4-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide Traditional Name: 2-ethoxy-N-(4-methoxy-7-tetrahydropyran-4-yl-1,3-benzothiazol-2-yl)isonicotinamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=CC(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCOCC4)OC

Isomeric SMILES

CCOC1=NC=CC(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCOCC4)OC

InChI

InChI=1S/C21H23N3O4S/c1-3-28-17-12-14(6-9-22-17)20(25)24-21-23-18-16(26-2)5-4-15(19(18)29-21)13-7-10-27-11-8-13/h4-6,9,12-13H,3,7-8,10-11H2,1-2H3,(H,23,24,25)