2-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-4-(4-ethylphenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-4-(4-ethylphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(6-bromo-2-oxo-chromen-3-yl)-4-(4-ethylphenyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-4-(4-ethylphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(6-bromo-2-oxochromen-3-yl)-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(6-bromo-2-keto-chromen-3-yl)-4-(4-ethylphenyl)thiazol-5-yl]acetic acid Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CC(=O)O

InChI

InChI=1S/C22H16BrNO4S/c1-2-12-3-5-13(6-4-12)20-18(11-19(25)26)29-21(24-20)16-10-14-9-15(23)7-8-17(14)28-22(16)27/h3-10H,2,11H2,1H3,(H,25,26)