ethyl 3-(3-methoxyphenyl)sulfinyl-6-(methylsulfonyloxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(3-methoxyphenyl)sulfinyl-6-(methylsulfonyloxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(3-methoxyphenyl)sulfinyl-6-(methylsulfonyloxymethyl)benzothiophene-2-carboxylate CAS Name: 3-(3-methoxyphenyl)sulfinyl-6-(methylsulfonyloxymethyl)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methoxyphenyl)sulfinyl-6-(methylsulfonyloxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-(3-methoxyphenyl)sulfinyl-6-(methylsulfonyloxymethyl)benzothiophene-2-carboxylic acid ethyl ester Formula: C20H20O7S3 MolecularWeight: 468.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)COS(=O)(=O)C)S(=O)C3=CC=CC(=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2)COS(=O)(=O)C)S(=O)C3=CC=CC(=C3)OC

InChI

InChI=1S/C20H20O7S3/c1-4-26-20(21)18-19(29(22)15-7-5-6-14(11-15)25-2)16-9-8-13(10-17(16)28-18)12-27-30(3,23)24/h5-11H,4,12H2,1-3H3