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

Systemtic Name: hexyl 2-[[(E)-2-cyano-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: hexyl 2-[[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]ethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]vinyl]amino]benzoic acid hexyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C28H25N3O4S/c1-2-3-4-9-14-34-27(32)21-11-6-7-12-23(21)30-17-20(16-29)26-31-24(18-36-26)22-15-19-10-5-8-13-25(19)35-28(22)33/h5-8,10-13,15,17-18,30H,2-4,9,14H2,1H3/b20-17+