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

Systemtic Name: 2-[4-(1-benzothiophen-2-yl)-5-methyl-2-[(E)-3-oxidanylideneprop-1-enyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-(benzothiophen-2-yl)-5-methyl-2-[(E)-3-oxoprop-1-enyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-(1-benzothiophen-2-yl)-5-methyl-2-[(E)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-(1-benzothiophen-2-yl)-5-methyl-2-[(E)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(benzothiophen-2-yl)-2-[(E)-3-ketoprop-1-enyl]-5-methyl-phenoxy]-2-methyl-propionic acid Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)C=CC=O)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=CC=CC=C3S2)/C=C/C=O)OC(C)(C)C(=O)O

InChI

InChI=1S/C22H20O4S/c1-14-11-18(26-22(2,3)21(24)25)15(8-6-10-23)12-17(14)20-13-16-7-4-5-9-19(16)27-20/h4-13H,1-3H3,(H,24,25)/b8-6+