2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-phenylsulfanyl-ethanoate; 4-ethylmorpholin-4-ium

Systemtic Name: 2-[(3S)-3-acetamido-2-oxidanylidene-azetidin-1-yl]-2-phenylsulfanyl-ethanoate; 4-ethylmorpholin-4-ium Openeye Name: 2-[(3S)-3-acetamido-2-oxo-azetidin-1-yl]-2-phenylsulfanyl-acetate; 4-ethylmorpholin-4-ium CAS Name: 2-[(3S)-3-acetamido-2-oxo-1-azetidinyl]-2-(phenylthio)acetate; 4-ethylmorpholin-4-ium IUPAC Name: 2-[(3S)-3-acetamido-2-oxoazetidin-1-yl]-2-phenylsulfanylacetate; 4-ethylmorpholin-4-ium Traditional Name: 2-[(3S)-3-acetamido-2-keto-azetidin-1-yl]-2-(phenylthio)acetate; 4-ethylmorpholin-4-ium Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCOCC1.CC(=O)NC1CN(C1=O)C(C(=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CCOCC1.CC(=O)N[C@H]1CN(C1=O)C(C(=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O4S.C6H13NO/c1-8(16)14-10-7-15(11(10)17)12(13(18)19)20-9-5-3-2-4-6-9;1-2-7-3-5-8-6-4-7/h2-6,10,12H,7H2,1H3,(H,14,16)(H,18,19);2-6H2,1H3/t10-,12?;/m0./s1