methyl (2S)-4-methylsulfanyl-2-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carbonyl]amino]butyric acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=NOC(=C1)COC2=CC=CC=C2SC

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=NOC(=C1)COC2=CC=CC=C2SC

InChI

InChI=1S/C18H22N2O5S2/c1-23-18(22)13(8-9-26-2)19-17(21)14-10-12(25-20-14)11-24-15-6-4-5-7-16(15)27-3/h4-7,10,13H,8-9,11H2,1-3H3,(H,19,21)/t13-/m0/s1