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

Systemtic Name: 2-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-4-[4-(phenylmethyl)phenyl]-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-(4-benzylphenyl)-2-(6-bromo-2-oxo-chromen-3-yl)thiazol-5-yl]acetic acid CAS Name: 2-[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-4-[4-(phenylmethyl)phenyl]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-(4-benzylphenyl)-2-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[4-(4-benzylphenyl)-2-(6-bromo-2-keto-chromen-3-yl)thiazol-5-yl]acetic acid Formula: C27H18BrNO4S MolecularWeight: 532.40512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(SC(=N3)C4=CC5=C(C=CC(=C5)Br)OC4=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(SC(=N3)C4=CC5=C(C=CC(=C5)Br)OC4=O)CC(=O)O

InChI

InChI=1S/C27H18BrNO4S/c28-20-10-11-22-19(13-20)14-21(27(32)33-22)26-29-25(23(34-26)15-24(30)31)18-8-6-17(7-9-18)12-16-4-2-1-3-5-16/h1-11,13-14H,12,15H2,(H,30,31)