tert-butyl (2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylate

Systemtic Name: tert-butyl (2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl (2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylate CAS Name: (2Z)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[2-(4-bromophenyl)-3,3-dicyanoprop-2-enylidene]-1,3-thiazinane-3-carboxylate Traditional Name: (2Z)-2-[2-(4-bromophenyl)-3,3-dicyano-prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCSC1=CC(=C(C#N)C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2S/c1-20(2,3)26-19(25)24-9-4-10-27-18(24)11-17(15(12-22)13-23)14-5-7-16(21)8-6-14/h5-8,11H,4,9-10H2,1-3H3/b18-11-