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

Systemtic Name: tert-butyl (2Z)-2-[3,3-dicyano-2-(4-methylphenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate Openeye Name: tert-butyl (2Z)-2-[3,3-dicyano-2-(p-tolyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate CAS Name: (2Z)-2-[3,3-dicyano-2-(4-methylphenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[3,3-dicyano-2-(4-methylphenyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylate Traditional Name: (2Z)-2-[3,3-dicyano-2-(p-tolyl)prop-2-enylidene]-1,3-thiazinane-3-carboxylic acid tert-butyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(C#N)C#N)C=C2N(CCCS2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=C(C#N)C#N)/C=C\2/N(CCCS2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-16(9-7-15)18(17(13-22)14-23)12-19-24(10-5-11-27-19)20(25)26-21(2,3)4/h6-9,12H,5,10-11H2,1-4H3/b19-12-