hexyl 2-[[(E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate

Systemtic Name: hexyl 2-[[(E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate Openeye Name: hexyl 2-[[(E)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoate CAS Name: 2-[[(E)-2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-cyanoethenyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 2-[[(E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate Traditional Name: 2-[[(E)-2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoic acid hexyl ester Formula: C28H24BrN3O4S MolecularWeight: 578.47686

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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=CC(=C4)Br)OC3=O

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C28H24BrN3O4S/c1-2-3-4-7-12-35-27(33)21-8-5-6-9-23(21)31-16-19(15-30)26-32-24(17-37-26)22-14-18-13-20(29)10-11-25(18)36-28(22)34/h5-6,8-11,13-14,16-17,31H,2-4,7,12H2,1H3/b19-16+