methyl 2-[2-bromanyl-6-(4-methoxyphenyl)-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-6-(4-methoxyphenyl)-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-6-(4-methoxyphenyl)phenoxy]acetate CAS Name: 2-[2-bromo-6-(4-methoxyphenyl)-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-bromo-6-(4-methoxyphenyl)phenoxy]acetate Traditional Name: 2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-6-(4-methoxyphenyl)phenoxy]acetic acid methyl ester Formula: C37H29BrO4S MolecularWeight: 649.59276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)CC6=CC=CC=C6)Br)OCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)CC6=CC=CC=C6)Br)OCC(=O)OC

InChI

InChI=1S/C37H29BrO4S/c1-40-29-18-16-26(17-19-29)31-21-28(22-32(38)37(31)42-23-35(39)41-2)25-12-14-27(15-13-25)36-30-10-6-7-11-33(30)43-34(36)20-24-8-4-3-5-9-24/h3-19,21-22H,20,23H2,1-2H3