methyl 2-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]acetate CAS Name: 2-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]acetate Traditional Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]acetic acid methyl ester Formula: C30H23BrO3S MolecularWeight: 543.47082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=C(SC4=CC=CC=C43)CC5=CC=CC=C5)Br

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=C(SC4=CC=CC=C43)CC5=CC=CC=C5)Br

InChI

InChI=1S/C30H23BrO3S/c1-33-29(32)19-34-26-16-15-23(18-25(26)31)21-11-13-22(14-12-21)30-24-9-5-6-10-27(24)35-28(30)17-20-7-3-2-4-8-20/h2-16,18H,17,19H2,1H3