4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-2-methyl-benzoate

Systemtic Name: 4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)thiophen-2-yl]-2-methyl-benzoate Openeye Name: 4-[3-(2-benzyloxy-5-bromo-phenyl)-2-thienyl]-2-methyl-benzoate CAS Name: 4-[3-(5-bromo-2-phenylmethoxyphenyl)-2-thiophenyl]-2-methylbenzoate IUPAC Name: 4-[3-(5-bromo-2-phenylmethoxyphenyl)thiophen-2-yl]-2-methylbenzoate Traditional Name: 4-[3-(2-benzoxy-5-bromo-phenyl)-2-thienyl]-2-methyl-benzoate Formula: C25H18BrO3S- MolecularWeight: 478.37762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=CS2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C25H19BrO3S/c1-16-13-18(7-9-20(16)25(27)28)24-21(11-12-30-24)22-14-19(26)8-10-23(22)29-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,27,28)/p-1