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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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