methyl 4-[(2-methylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-methylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-methylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[2-(methylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-methylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(methylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC

InChI

InChI=1S/C12H15NO3S/c1-16-12(15)10-5-3-9(4-6-10)7-13-11(14)8-17-2/h3-6H,7-8H2,1-2H3,(H,13,14)