3-(2-carboxyethyl)-5-methyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-5-methyl-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-5-methyl-benzothiophene-2-carboxylic acid CAS Name: 3-(2-carboxyethyl)-5-methyl-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(2-carboxyethyl)-5-methyl-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-5-methyl-benzothiophene-2-carboxylic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H12O4S/c1-7-2-4-10-9(6-7)8(3-5-11(14)15)12(18-10)13(16)17/h2,4,6H,3,5H2,1H3,(H,14,15)(H,16,17)