[(3Z)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [(3Z)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [(3Z)-3-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazolidin-5-yl]methyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid [(3Z)-3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolidinyl]methyl ester IUPAC Name: [(3Z)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazolidin-5-yl]methyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid [(3Z)-3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)isoxazolidin-5-yl]methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CC(ON2)COC(=O)C(CCSC)N)C=CC1=O

Isomeric SMILES

COC1=C/C(=C\2/CC(ON2)COC(=O)[C@H](CCSC)N)/C=CC1=O

InChI

InChI=1S/C16H22N2O5S/c1-21-15-7-10(3-4-14(15)19)13-8-11(23-18-13)9-22-16(20)12(17)5-6-24-2/h3-4,7,11-12,18H,5-6,8-9,17H2,1-2H3/b13-10-/t11?,12-/m0/s1