methyl (2S)-4-methylsulfanyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]butanoate Openeye Name: methyl (2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-benzoylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-26-21(25)18(12-13-28-2)22-19(23)14-27-17-10-8-16(9-11-17)20(24)15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,22,23)/t18-/m0/s1