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

Systemtic Name: tert-butyl (2E)-2-[3,3-dicyano-2-(4-methylphenyl)prop-2-enylidene]-5-methylidene-1,3-thiazolidine-3-carboxylate Openeye Name: tert-butyl (2E)-2-[3,3-dicyano-2-(p-tolyl)prop-2-enylidene]-5-methylene-thiazolidine-3-carboxylate CAS Name: (2E)-2-[3,3-dicyano-2-(4-methylphenyl)prop-2-enylidene]-5-methylene-3-thiazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[3,3-dicyano-2-(4-methylphenyl)prop-2-enylidene]-5-methylidene-1,3-thiazolidine-3-carboxylate Traditional Name: (2E)-2-[3,3-dicyano-2-(p-tolyl)prop-2-enylidene]-5-methylene-thiazolidine-3-carboxylic acid tert-butyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(C#N)C#N)C=C2N(CC(=C)S2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=C(C#N)C#N)/C=C/2\N(CC(=C)S2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H21N3O2S/c1-14-6-8-16(9-7-14)18(17(11-22)12-23)10-19-24(13-15(2)27-19)20(25)26-21(3,4)5/h6-10H,2,13H2,1,3-5H3/b19-10+