[3-(4-methoxy-3-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [3-(4-methoxy-3-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [3-(3-hydroxy-4-methoxy-phenyl)-4,5-dihydroisoxazol-5-yl]methyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid [3-(3-hydroxy-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [3-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid [3-(3-hydroxy-4-methoxy-phenyl)-2-isoxazolin-5-yl]methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)COC(=O)C(CCSC)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(C2)COC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C16H22N2O5S/c1-21-15-4-3-10(7-14(15)19)13-8-11(23-18-13)9-22-16(20)12(17)5-6-24-2/h3-4,7,11-12,19H,5-6,8-9,17H2,1-2H3/t11?,12-/m0/s1