(3S)-4-ethoxy-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-ethoxy-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-ethoxy-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-ethoxy-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-ethoxy-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-ethoxy-3-(2-furfurylammonio)-4-keto-butyrate Formula: C11H15NO5 MolecularWeight: 241.2405

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)[O-])[NH2+]CC1=CC=CO1

Isomeric SMILES

CCOC(=O)[C@H](CC(=O)[O-])[NH2+]CC1=CC=CO1

InChI

InChI=1S/C11H15NO5/c1-2-16-11(15)9(6-10(13)14)12-7-8-4-3-5-17-8/h3-5,9,12H,2,6-7H2,1H3,(H,13,14)/t9-/m0/s1