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

Systemtic Name: 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoic acid Openeye Name: 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoic acid CAS Name: 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoic acid IUPAC Name: 3-methyl-2-(5-methyl-2-benzothiophen-1-yl)butanoic acid Traditional Name: 3-methyl-2-(5-methylisobenzothiophen-1-yl)butyric acid Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CSC(=C2C=C1)C(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC2=CSC(=C2C=C1)C(C(C)C)C(=O)O

InChI

InChI=1S/C14H16O2S/c1-8(2)12(14(15)16)13-11-5-4-9(3)6-10(11)7-17-13/h4-8,12H,1-3H3,(H,15,16)