3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoic acid

Systemtic Name: 3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoic acid Openeye Name: 3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonyl-benzoic acid CAS Name: 3-(2-methoxyethylamino)-4-methylsulfonyl-2-[(methylthio)methyl]benzoic acid IUPAC Name: 3-(2-methoxyethylamino)-2-(methylsulfanylmethyl)-4-methylsulfonylbenzoic acid Traditional Name: 4-mesyl-3-(2-methoxyethylamino)-2-[(methylthio)methyl]benzoic acid Formula: C13H19NO5S2 MolecularWeight: 333.42366

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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)