3-chloranyl-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate

Systemtic Name: 3-chloranyl-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylate Openeye Name: 3-chloro-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-chloro-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylate IUPAC Name: 3-chloro-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-chloro-4-isopropylsulfonyl-5-(methylthio)-2-thenoate Formula: C9H10ClO4S3- MolecularWeight: 313.8213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1Cl)C(=O)[O-])SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1Cl)C(=O)[O-])SC

InChI

InChI=1S/C9H11ClO4S3/c1-4(2)17(13,14)7-5(10)6(8(11)12)16-9(7)15-3/h4H,1-3H3,(H,11,12)/p-1