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

Systemtic Name: hexyl 4-[[2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Openeye Name: hexyl 4-[[2-cyano-2-(4-phenylthiazol-2-yl)vinyl]amino]benzoate CAS Name: 4-[[2-cyano-2-(4-phenyl-2-thiazolyl)ethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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