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

Systemtic Name: 2-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(6-bromo-2-oxo-chromen-3-yl)-4-(p-tolyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-4-(4-methylphenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(6-bromo-2-oxochromen-3-yl)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(6-bromo-2-keto-chromen-3-yl)-4-(p-tolyl)thiazol-5-yl]acetic acid Formula: C21H14BrNO4S MolecularWeight: 456.30916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O)CC(=O)O

InChI

InChI=1S/C21H14BrNO4S/c1-11-2-4-12(5-3-11)19-17(10-18(24)25)28-20(23-19)15-9-13-8-14(22)6-7-16(13)27-21(15)26/h2-9H,10H2,1H3,(H,24,25)