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

Systemtic Name: 2-cyano-3-(2-iodanylphenyl)-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Openeye Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(2-iodophenyl)propanethioamide CAS Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(2-iodophenyl)propanethioamide IUPAC Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(2-iodophenyl)propanethioamide Traditional Name: 2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(2-iodophenyl)thiopropionamide Formula: C19H19IN2O4S MolecularWeight: 498.33463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CC=CC=C3I)C(C#N)C(=S)N)O

Isomeric SMILES

C1CCC2(CC1)OC(=C(C(=O)O2)C(C3=CC=CC=C3I)C(C#N)C(=S)N)O

InChI

InChI=1S/C19H19IN2O4S/c20-13-7-3-2-6-11(13)14(12(10-21)16(22)27)15-17(23)25-19(26-18(15)24)8-4-1-5-9-19/h2-3,6-7,12,14,23H,1,4-5,8-9H2,(H2,22,27)