2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methyl-butanoic acid

Systemtic Name: 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methyl-butanoic acid Openeye Name: 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methyl-butanoic acid CAS Name: 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methylbutanoic acid IUPAC Name: 2-(5,6-dimethoxy-2-benzothiophen-1-yl)-3-methylbutanoic acid Traditional Name: 2-(5,6-dimethoxyisobenzothiophen-1-yl)-3-methyl-butyric acid Formula: C15H18O4S MolecularWeight: 294.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=C(C(=CC2=CS1)OC)OC)C(=O)O

Isomeric SMILES

CC(C)C(C1=C2C=C(C(=CC2=CS1)OC)OC)C(=O)O

InChI

InChI=1S/C15H18O4S/c1-8(2)13(15(16)17)14-10-6-12(19-4)11(18-3)5-9(10)7-20-14/h5-8,13H,1-4H3,(H,16,17)