3-[4-[[3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[3-(5-chloro-3-methyl-benzothiophen-2-yl)phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[3-(5-chloro-3-methyl-benzothiophen-2-yl)benzyl]oxyphenyl]propionic acid Formula: C25H21ClO3S MolecularWeight: 436.95044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C3=CC(=CC=C3)COC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C3=CC(=CC=C3)COC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C25H21ClO3S/c1-16-22-14-20(26)8-11-23(22)30-25(16)19-4-2-3-18(13-19)15-29-21-9-5-17(6-10-21)7-12-24(27)28/h2-6,8-11,13-14H,7,12,15H2,1H3,(H,27,28)