methyl (2R)-2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[4-[4-(2-butylbenzothiophen-3-yl)phenyl]phenoxy]-2-phenyl-acetate CAS Name: (2R)-2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-2-phenylacetate Traditional Name: (2R)-2-[4-[4-(2-butylbenzothiophen-3-yl)phenyl]phenoxy]-2-phenyl-acetic acid methyl ester Formula: C33H30O3S MolecularWeight: 506.6545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C4=CC=C(C=C4)O[C@H](C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C33H30O3S/c1-3-4-13-30-31(28-12-8-9-14-29(28)37-30)25-17-15-23(16-18-25)24-19-21-27(22-20-24)36-32(33(34)35-2)26-10-6-5-7-11-26/h5-12,14-22,32H,3-4,13H2,1-2H3/t32-/m1/s1