ethyl 4-[[4-(6-hexyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(6-hexyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(6-hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-(6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-(6-hexyl-7-hydroxy-2-keto-chromen-3-yl)thiazol-2-yl]amino]benzoic acid ethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)C(=O)OCC)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)C(=O)OCC)O

InChI

InChI=1S/C27H28N2O5S/c1-3-5-6-7-8-18-13-19-14-21(26(32)34-24(19)15-23(18)30)22-16-35-27(29-22)28-20-11-9-17(10-12-20)25(31)33-4-2/h9-16,30H,3-8H2,1-2H3,(H,28,29)