2-cyano-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-pyridin-3-yl-propanethioamide

Systemtic Name: 2-cyano-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-pyridin-3-yl-propanethioamide Openeye Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-pyridyl)propanethioamide CAS Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-pyridinyl)propanethioamide IUPAC Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-pyridin-3-ylpropanethioamide Traditional Name: 2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(3-pyridyl)thiopropionamide Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CN=CC=C3)C(C#N)C(=S)N)O

Isomeric SMILES

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CN=CC=C3)C(C#N)C(=S)N)O

InChI

InChI=1S/C18H19N3O4S/c19-9-12(15(20)26)13(11-5-4-8-21-10-11)14-16(22)24-18(25-17(14)23)6-2-1-3-7-18/h4-5,8,10,12-13,22H,1-3,6-7H2,(H2,20,26)