ethyl (2E)-2-[cyano-(4-thiophen-2-yl-1,3-thiazol-2-yl)methylidene]-4-methyl-3-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl (2E)-2-[cyano-(4-thiophen-2-yl-1,3-thiazol-2-yl)methylidene]-4-methyl-3-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl (2E)-2-[cyano-[4-(2-thienyl)thiazol-2-yl]methylene]-4-methyl-3-phenyl-thiazole-5-carboxylate CAS Name: (2E)-2-[cyano-(4-thiophen-2-yl-2-thiazolyl)methylidene]-4-methyl-3-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[cyano-(4-thiophen-2-yl-1,3-thiazol-2-yl)methylidene]-4-methyl-3-phenyl-1,3-thiazole-5-carboxylate Traditional Name: (2E)-2-[cyano-[4-(2-thienyl)thiazol-2-yl]methylene]-4-methyl-3-phenyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C22H17N3O2S3 MolecularWeight: 451.58428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C#N)C2=NC(=CS2)C3=CC=CS3)S1)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(/C(=C(/C#N)\C2=NC(=CS2)C3=CC=CS3)/S1)C4=CC=CC=C4)C

InChI

InChI=1S/C22H17N3O2S3/c1-3-27-22(26)19-14(2)25(15-8-5-4-6-9-15)21(30-19)16(12-23)20-24-17(13-29-20)18-10-7-11-28-18/h4-11,13H,3H2,1-2H3/b21-16+