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

Systemtic Name: hexyl 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: hexyl 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-2-thiazolyl]ethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]vinyl]amino]benzoic acid hexyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-2-3-4-7-14-33-25(30)21-8-5-6-9-22(21)27-16-19(15-26)24-28-23(17-34-24)18-10-12-20(13-11-18)29(31)32/h5-6,8-13,16-17,27H,2-4,7,14H2,1H3/b19-16+