6-(1,3-benzothiazol-2-yl)-6-cyano-N-(2,5-dimethoxyphenyl)-5-oxidanylidene-hexanamide

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(2,5-dimethoxyphenyl)-5-oxidanylidene-hexanamide Openeye Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(2,5-dimethoxyphenyl)-5-oxo-hexanamide CAS Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(2,5-dimethoxyphenyl)-5-oxohexanamide IUPAC Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(2,5-dimethoxyphenyl)-5-oxohexanamide Traditional Name: 6-(1,3-benzothiazol-2-yl)-6-cyano-N-(2,5-dimethoxyphenyl)-5-keto-hexanamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CCCC(=O)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H21N3O4S/c1-28-14-10-11-19(29-2)17(12-14)24-21(27)9-5-7-18(26)15(13-23)22-25-16-6-3-4-8-20(16)30-22/h3-4,6,8,10-12,15H,5,7,9H2,1-2H3,(H,24,27)