5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid Openeye Name: 4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid IUPAC Name: 5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid Traditional Name: 4-isopropylsulfonyl-5-(methylthio)-2-thenoic acid Formula: C9H12O4S3 MolecularWeight: 280.38418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1)C(=O)O)SC

InChI

InChI=1S/C9H12O4S3/c1-5(2)16(12,13)7-4-6(8(10)11)15-9(7)14-3/h4-5H,1-3H3,(H,10,11)