hexyl 2-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate

Systemtic Name: hexyl 2-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate Openeye Name: hexyl 2-[[(E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoate CAS Name: 2-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-cyanoethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoic acid hexyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H25N3O4S/c1-2-3-4-7-12-31-26(30)20-8-5-6-9-21(20)28-15-19(14-27)25-29-22(16-34-25)18-10-11-23-24(13-18)33-17-32-23/h5-6,8-11,13,15-16,28H,2-4,7,12,17H2,1H3/b19-15+