methyl 2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoate CAS Name: 3-hydroxy-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[3-[(methylthio)methyl]benzoyl]amino]propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC(=CC=C1)CSC

InChI

InChI=1S/C13H17NO4S/c1-18-13(17)11(7-15)14-12(16)10-5-3-4-9(6-10)8-19-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)