2-azanyl-3-[2-(5-methyl-3-oxidanylidene-1,2-oxazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(5-methyl-3-oxidanylidene-1,2-oxazol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(5-methyl-3-oxo-isoxazol-2-yl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(5-methyl-3-oxo-2-isoxazolyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(5-methyl-3-oxo-1,2-oxazol-2-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(3-keto-5-methyl-4-isoxazolin-2-yl)ethyl]thio]propionic acid Formula: C9H12N2O5S MolecularWeight: 260.26698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(O1)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=O)N(O1)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C9H12N2O5S/c1-5-2-7(12)11(16-5)8(13)4-17-3-6(10)9(14)15/h2,6H,3-4,10H2,1H3,(H,14,15)