ethyl 4-methoxy-3-methylsulfonyl-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 4-methoxy-3-methylsulfonyl-2-benzothiophene-1-carboxylate Openeye Name: ethyl 4-methoxy-3-methylsulfonyl-2-benzothiophene-1-carboxylate CAS Name: 4-methoxy-3-methylsulfonyl-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methoxy-3-methylsulfonyl-2-benzothiophene-1-carboxylate Traditional Name: 3-mesyl-4-methoxy-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C13H14O5S2 MolecularWeight: 314.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=C(C2=C(S1)S(=O)(=O)C)OC

Isomeric SMILES

CCOC(=O)C1=C2C=CC=C(C2=C(S1)S(=O)(=O)C)OC

InChI

InChI=1S/C13H14O5S2/c1-4-18-12(14)11-8-6-5-7-9(17-2)10(8)13(19-11)20(3,15)16/h5-7H,4H2,1-3H3