5-methyl-1-oxidanylidene-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-methyl-1-oxidanylidene-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid Openeye Name: 3-isopropoxy-5-methyl-1-oxo-benzothiophene-2-carboxylic acid CAS Name: 5-methyl-1-oxo-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-methyl-1-oxo-3-propan-2-yloxy-1-benzothiophene-2-carboxylic acid Traditional Name: 3-isopropoxy-1-keto-5-methyl-benzothiophene-2-carboxylic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)S(=O)C(=C2OC(C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)S(=O)C(=C2OC(C)C)C(=O)O

InChI

InChI=1S/C13H14O4S/c1-7(2)17-11-9-6-8(3)4-5-10(9)18(16)12(11)13(14)15/h4-7H,1-3H3,(H,14,15)