1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-keto-nicotinamide Formula: C22H17ClFN3O3S MolecularWeight: 457.905083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3O3S/c1-2-30-14-7-8-18-19(10-14)31-22(25-18)26-21(29)13-6-9-20(28)27(11-13)12-15-16(23)4-3-5-17(15)24/h3-11H,2,12H2,1H3,(H,25,26,29)