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

Systemtic Name: (2S)-2-[2-(3-ethylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(3-ethylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3-ethylphenoxy)acetyl]amino]-4-(methylthio)butyrate Formula: C15H20NO4S- MolecularWeight: 310.3886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

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