3-(4-bromophenyl)-2-cyano-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide

Systemtic Name: 3-(4-bromophenyl)-2-cyano-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Openeye Name: 3-(4-bromophenyl)-2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide CAS Name: 3-(4-bromophenyl)-2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide IUPAC Name: 3-(4-bromophenyl)-2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Traditional Name: 3-(4-bromophenyl)-2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)thiopropionamide Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c20-12-6-4-11(5-7-12)14(13(10-21)16(22)27)15-17(23)25-19(26-18(15)24)8-2-1-3-9-19/h4-7,13-14,23H,1-3,8-9H2,(H2,22,27)