N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(2-oxidanylidenechromen-7-yl)oxy-ethanamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(2-oxidanylidenechromen-7-yl)oxy-ethanamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxy-acetamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-[(2-oxo-1-benzopyran-7-yl)oxy]acetamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide Traditional Name: 2-(2-ketochromen-7-yl)oxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C21H25N3O4S/c1-2-3-4-5-6-7-8-19-23-24-21(29-19)22-18(25)14-27-16-11-9-15-10-12-20(26)28-17(15)13-16/h9-13H,2-8,14H2,1H3,(H,22,24,25)