2-methyl-2-morpholin-4-ylcarbonyl-3-oxidanylidene-5-[3-(1,2-thiazol-3-yloxy)phenoxy]pentanenitrile

Systemtic Name: 2-methyl-2-morpholin-4-ylcarbonyl-3-oxidanylidene-5-[3-(1,2-thiazol-3-yloxy)phenoxy]pentanenitrile Openeye Name: 5-(3-isothiazol-3-yloxyphenoxy)-2-methyl-2-(morpholine-4-carbonyl)-3-oxo-pentanenitrile CAS Name: 5-[3-(3-isothiazolyloxy)phenoxy]-2-methyl-2-[4-morpholinyl(oxo)methyl]-3-oxopentanenitrile IUPAC Name: 2-methyl-2-(morpholine-4-carbonyl)-3-oxo-5-[3-(1,2-thiazol-3-yloxy)phenoxy]pentanenitrile Traditional Name: 5-(3-isothiazol-3-yloxyphenoxy)-3-keto-2-methyl-2-(morpholine-4-carbonyl)valeronitrile Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C(=O)CCOC1=CC=CC(=C1)OC2=NSC=C2)C(=O)N3CCOCC3

Isomeric SMILES

CC(C#N)(C(=O)CCOC1=CC=CC(=C1)OC2=NSC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O5S/c1-20(14-21,19(25)23-7-10-26-11-8-23)17(24)5-9-27-15-3-2-4-16(13-15)28-18-6-12-29-22-18/h2-4,6,12-13H,5,7-11H2,1H3