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

Systemtic Name: methyl (2S)-2-[2-(4-cyanophenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(4-cyanophenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-cyanophenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-cyanophenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-cyanophenoxy)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)COC1=CC=C(C=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-20-15(19)13(7-8-22-2)17-14(18)10-21-12-5-3-11(9-16)4-6-12/h3-6,13H,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1