methyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[2-(p-tolylsulfanyl)acetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[2-(p-tolylthio)acetyl]amino]propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC(CO)C(=O)OC

InChI

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