3-(4-bromophenyl)-2-cyano-3-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)propanethioamide

Systemtic Name: 3-(4-bromophenyl)-2-cyano-3-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)propanethioamide Openeye Name: 3-(4-bromophenyl)-2-cyano-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)propanethioamide CAS Name: 3-(4-bromophenyl)-2-cyano-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)propanethioamide IUPAC Name: 3-(4-bromophenyl)-2-cyano-3-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)propanethioamide Traditional Name: 3-(4-bromophenyl)-2-cyano-3-(4-hydroxy-6-keto-2,2-dimethyl-1,3-dioxin-5-yl)thiopropionamide Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C(C2=CC=C(C=C2)Br)C(C#N)C(=S)N)O)C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C(C2=CC=C(C=C2)Br)C(C#N)C(=S)N)O)C

InChI

InChI=1S/C16H15BrN2O4S/c1-16(2)22-14(20)12(15(21)23-16)11(10(7-18)13(19)24)8-3-5-9(17)6-4-8/h3-6,10-11,20H,1-2H3,(H2,19,24)