methyl 2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(methylsulfanylmethyl)benzoyl]amino]acetate CAS Name: 2-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(methylsulfanylmethyl)benzoyl]amino]acetate Traditional Name: 2-[[4-[(methylthio)methyl]benzoyl]amino]acetic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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