5-(3,4-diethoxyphenyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-diethoxyphenyl)-N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-diethoxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)isoxazole-3-carboxamide CAS Name: 5-(3,4-diethoxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-diethoxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-diethoxyphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)isoxazole-3-carboxamide Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)OCC

InChI

InChI=1S/C21H18FN3O4S/c1-3-27-16-8-5-12(9-18(16)28-4-2)17-11-15(25-29-17)20(26)24-21-23-14-7-6-13(22)10-19(14)30-21/h5-11H,3-4H2,1-2H3,(H,23,24,26)