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

Systemtic Name: methyl 4-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]butanoate Openeye Name: methyl 4-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]butanoate CAS Name: 4-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]butanoate Traditional Name: 4-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]butyric acid methyl ester Formula: C32H27BrO3S MolecularWeight: 571.52398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=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)CCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=C(SC4=CC=CC=C43)CC5=CC=CC=C5)Br

InChI

InChI=1S/C32H27BrO3S/c1-35-31(34)12-7-19-36-28-18-17-25(21-27(28)33)23-13-15-24(16-14-23)32-26-10-5-6-11-29(26)37-30(32)20-22-8-3-2-4-9-22/h2-6,8-11,13-18,21H,7,12,19-20H2,1H3