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

Systemtic Name: 2-cyano-3-(4-methoxy-3-phenylmethoxy-phenyl)-3-(8-oxidanyl-10-oxidanylidene-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide Openeye Name: 3-(3-benzyloxy-4-methoxy-phenyl)-2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)propanethioamide CAS Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanethioamide IUPAC Name: 2-cyano-3-(8-hydroxy-10-oxo-7,11-dioxaspiro[5.5]undec-8-en-9-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanethioamide Traditional Name: 3-(3-benzoxy-4-methoxy-phenyl)-2-cyano-3-(8-hydroxy-10-keto-7,11-dioxaspiro[5.5]undec-8-en-9-yl)thiopropionamide Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(OC3(CCCCC3)OC2=O)O)C(C#N)C(=S)N)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S/c1-32-20-11-10-18(14-21(20)33-16-17-8-4-2-5-9-17)22(19(15-28)24(29)36)23-25(30)34-27(35-26(23)31)12-6-3-7-13-27/h2,4-5,8-11,14,19,22,30H,3,6-7,12-13,16H2,1H3,(H2,29,36)