2-azanyl-3-ethoxy-propanoic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 2-azanyl-3-ethoxy-propanoic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 2-amino-3-ethoxy-propanoic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 2-amino-3-ethoxypropanoic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 2-amino-3-ethoxypropanoic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 2-amino-3-ethoxy-propionic acid; 8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C(=O)O)N.C1C2=CC=C(S1)C=C2

Isomeric SMILES

CCOCC(C(=O)O)N.C1C2=CC=C(S1)C=C2

InChI

InChI=1S/C7H6S.C5H11NO3/c1-3-7-4-2-6(1)5-8-7;1-2-9-3-4(6)5(7)8/h1-4H,5H2;4H,2-3,6H2,1H3,(H,7,8)