ethyl (2E)-2-cyano-2-[3-(2,6-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-cyano-2-[3-(2,6-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-cyano-2-[3-(2,6-dimethylphenyl)-4-phenyl-thiazol-2-ylidene]acetate CAS Name: (2E)-2-cyano-2-[3-(2,6-dimethylphenyl)-4-phenyl-2-thiazolylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-cyano-2-[3-(2,6-dimethylphenyl)-4-phenyl-1,3-thiazol-2-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[3-(2,6-dimethylphenyl)-4-phenyl-4-thiazolin-2-ylidene]acetic acid ethyl ester Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(C(=CS1)C2=CC=CC=C2)C3=C(C=CC=C3C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/1\N(C(=CS1)C2=CC=CC=C2)C3=C(C=CC=C3C)C)/C#N

InChI

InChI=1S/C22H20N2O2S/c1-4-26-22(25)18(13-23)21-24(20-15(2)9-8-10-16(20)3)19(14-27-21)17-11-6-5-7-12-17/h5-12,14H,4H2,1-3H3/b21-18+