2-cyano-3-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)-3-(3-ethoxy-4-oxidanyl-phenyl)propanethioamide; 4-methylmorpholine

Systemtic Name: 2-cyano-3-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)-3-(3-ethoxy-4-oxidanyl-phenyl)propanethioamide; 4-methylmorpholine Openeye Name: 2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)propanethioamide; 4-methylmorpholine CAS Name: 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)propanethioamide; 4-methylmorpholine IUPAC Name: 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)propanethioamide; 4-methylmorpholine Traditional Name: 2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)-3-(4-hydroxy-6-keto-2,2-dimethyl-1,3-dioxin-5-yl)thiopropionamide; 4-methylmorpholine Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(OC(OC2=O)(C)C)O)C(C#N)C(=S)N)O.CN1CCOCC1

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(OC(OC2=O)(C)C)O)C(C#N)C(=S)N)O.CN1CCOCC1

InChI

InChI=1S/C18H20N2O6S.C5H11NO/c1-4-24-12-7-9(5-6-11(12)21)13(10(8-19)15(20)27)14-16(22)25-18(2,3)26-17(14)23;1-6-2-4-7-5-3-6/h5-7,10,13,21-22H,4H2,1-3H3,(H2,20,27);2-5H2,1H3