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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[3-(p-tolylsulfanyl)propanoylamino]propanoate CAS Name: 3-hydroxy-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoate Traditional Name: 3-hydroxy-2-[3-(p-tolylthio)propanoylamino]propionic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-10-3-5-11(6-4-10)20-8-7-13(17)15-12(9-16)14(18)19-2/h3-6,12,16H,7-9H2,1-2H3,(H,15,17)