(3-ethanoylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: (3-ethanoylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: (3-acetylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid (3-acetylphenyl) ester Formula: C15H15NO5S2 MolecularWeight: 353.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(S2)CNC(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(S2)CNC(=O)C

InChI

InChI=1S/C15H15NO5S2/c1-10(17)12-4-3-5-13(8-12)21-23(19,20)15-7-6-14(22-15)9-16-11(2)18/h3-8H,9H2,1-2H3,(H,16,18)