ethyl 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate

Systemtic Name: ethyl 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: ethyl 2-[[(E)-2-cyano-2-[4-(4-isobutylphenyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]ethenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-2-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-2-[4-(4-isobutylphenyl)thiazol-2-yl]vinyl]amino]benzoic acid ethyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C25H25N3O2S/c1-4-30-25(29)21-7-5-6-8-22(21)27-15-20(14-26)24-28-23(16-31-24)19-11-9-18(10-12-19)13-17(2)3/h5-12,15-17,27H,4,13H2,1-3H3/b20-15+