methyl (2R)-2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[3-(2-methylphenoxy)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(2-methylphenoxy)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[3-(2-methylphenoxy)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H23NO4S/c1-12-6-4-5-7-14(12)21-10-8-15(18)17-13(9-11-22-3)16(19)20-2/h4-7,13H,8-11H2,1-3H3,(H,17,18)/t13-/m1/s1