ethyl 3-[2-methylsulfanylethanoyl(methylsulfonyl)amino]benzoate

Systemtic Name: ethyl 3-[2-methylsulfanylethanoyl(methylsulfonyl)amino]benzoate Openeye Name: ethyl 3-[(2-methylsulfanylacetyl)-methylsulfonyl-amino]benzoate CAS Name: 3-[methylsulfonyl-[2-(methylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-methylsulfanylacetyl)-methylsulfonylamino]benzoate Traditional Name: 3-[mesyl-[2-(methylthio)acetyl]amino]benzoic acid ethyl ester Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CSC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CSC)S(=O)(=O)C

InChI

InChI=1S/C13H17NO5S2/c1-4-19-13(16)10-6-5-7-11(8-10)14(21(3,17)18)12(15)9-20-2/h5-8H,4,9H2,1-3H3