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

Systemtic Name: methyl (2R)-2-[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]-3-phenyl-propanoate CAS Name: (2R)-2-[2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenoxy]-3-phenylpropanoate Traditional Name: (2R)-2-[4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenoxy]-3-phenyl-propionic acid methyl ester Formula: C37H29BrO3S MolecularWeight: 633.59336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)CC6=CC=CC=C6)Br

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)CC6=CC=CC=C6)Br

InChI

InChI=1S/C37H29BrO3S/c1-40-37(39)33(22-25-10-4-2-5-11-25)41-32-21-20-29(24-31(32)38)27-16-18-28(19-17-27)36-30-14-8-9-15-34(30)42-35(36)23-26-12-6-3-7-13-26/h2-21,24,33H,22-23H2,1H3/t33-/m1/s1