methyl (2S)-4-methylsulfanyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]butyric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCC1=NC(=NO1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CCC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-23-17(22)13(10-11-25-2)18-14(21)8-9-15-19-16(20-24-15)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,18,21)/t13-/m0/s1