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

Systemtic Name: ethyl 4-[[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]amino]benzoic acid ethyl ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C21H15BrN2O4S/c1-2-27-19(25)12-3-6-15(7-4-12)23-21-24-17(11-29-21)16-10-13-9-14(22)5-8-18(13)28-20(16)26/h3-11H,2H2,1H3,(H,23,24)