2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxidanylideneprop-1-enyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxidanylideneprop-1-enyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-(benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxoprop-1-enyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-(1-benzothiophen-2-yl)-5-methoxy-2-[(E)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(benzothiophen-2-yl)-2-[(E)-3-ketoprop-1-enyl]-5-methoxy-phenoxy]-2-methyl-propionic acid Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=C(C=C(C(=C1)OC)C2=CC3=CC=CC=C3S2)C=CC=O

Isomeric SMILES

CC(C)(C(=O)O)OC1=C(C=C(C(=C1)OC)C2=CC3=CC=CC=C3S2)/C=C/C=O

InChI

InChI=1S/C22H20O5S/c1-22(2,21(24)25)27-17-13-18(26-3)16(11-14(17)8-6-10-23)20-12-15-7-4-5-9-19(15)28-20/h4-13H,1-3H3,(H,24,25)/b8-6+