methyl (2S)-2-[2-(3-methylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-(3-methylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3-methylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3-methylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3-methylphenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3-methylphenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11-5-4-6-12(9-11)20-10-14(17)16-13(7-8-21-3)15(18)19-2/h4-6,9,13H,7-8,10H2,1-3H3,(H,16,17)/t13-/m0/s1