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

Systemtic Name: hexyl 2-[[(E)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: hexyl 2-[[(E)-2-cyano-2-[4-(3-methoxyphenyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-2-[4-(3-methoxyphenyl)-2-thiazolyl]ethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(E)-2-cyano-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-2-[4-(3-methoxyphenyl)thiazol-2-yl]vinyl]amino]benzoic acid hexyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-3-4-5-8-14-32-26(30)22-12-6-7-13-23(22)28-17-20(16-27)25-29-24(18-33-25)19-10-9-11-21(15-19)31-2/h6-7,9-13,15,17-18,28H,3-5,8,14H2,1-2H3/b20-17+