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

Systemtic Name: 2-cyano-3-(4-methylphenyl)-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-(p-tolyl)propanethioamide CAS Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-methylphenyl)propanethioamide IUPAC Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-methylphenyl)propanethioamide Traditional Name: 2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(p-tolyl)thiopropionamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N

InChI

InChI=1S/C20H22N2O4S/c1-12-5-7-13(8-6-12)15(14(11-21)17(22)27)16-18(23)25-20(26-19(16)24)9-3-2-4-10-20/h5-8,14-15,23H,2-4,9-10H2,1H3,(H2,22,27)