tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methylidene-1,3-thiazolidine-3-carboxylate

Systemtic Name: tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methylidene-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methylene-thiazolidine-3-carboxylate CAS Name: (2E)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-5-methylene-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-5-methylidene-1,3-thiazolidine-3-carboxylate Traditional Name: (2E)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-5-methylene-thiazolidine-3-carboxylic acid tert-butyl ester Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=C)SC1=CC(=C(C#N)C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N\1CC(=C)S/C1=C/C(=C(C#N)C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-13-12-24(19(25)26-20(2,3)4)18(27-13)9-17(15(10-22)11-23)14-5-7-16(21)8-6-14/h5-9H,1,12H2,2-4H3/b18-9+