3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoate

Systemtic Name: 3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoate Openeye Name: 3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoate CAS Name: 3-(2-methoxyethylamino)-4-methylsulfonyl-2-[(methylthio)methyl]benzoate IUPAC Name: 3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonylbenzoate Traditional Name: 4-mesyl-3-(2-methoxyethylamino)-2-[(methylthio)methyl]benzoate Formula: C13H18NO5S2- MolecularWeight: 332.41572

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=CC(=C1CSC)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

COCCNC1=C(C=CC(=C1CSC)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H19NO5S2/c1-19-7-6-14-12-10(8-20-2)9(13(15)16)4-5-11(12)21(3,17)18/h4-5,14H,6-8H2,1-3H3,(H,15,16)/p-1