methyl (2R)-2-[2-(2,6-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-(2,6-dimethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H23NO4S/c1-11-6-5-7-12(2)15(11)21-10-14(18)17-13(8-9-22-4)16(19)20-3/h5-7,13H,8-10H2,1-4H3,(H,17,18)/t13-/m1/s1