methyl 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]propanoate CAS Name: 3-hydroxy-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoate Traditional Name: 3-hydroxy-2-[[2-methyl-5-(methylthio)benzoyl]amino]propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C13H17NO4S/c1-8-4-5-9(19-3)6-10(8)12(16)14-11(7-15)13(17)18-2/h4-6,11,15H,7H2,1-3H3,(H,14,16)