2-methoxy-5-[(2-methylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(2-methylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methylsulfanylacetyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-(methylthio)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-(methylthio)acetyl]amino]methyl]benzoic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-17-10-4-3-8(5-9(10)12(15)16)6-13-11(14)7-18-2/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)