2-azanylpropanoic acid; 3-butoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene

Systemtic Name: 2-azanylpropanoic acid; 3-butoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 2-aminopropanoic acid; 3-butoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 2-aminopropanoic acid; 3-butoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 2-aminopropanoic acid; 3-butoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 2-aminopropionic acid; 3-butoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC(=C1)CS2.CC(C(=O)O)N

Isomeric SMILES

CCCCOC1=C2C=CC(=C1)CS2.CC(C(=O)O)N

InChI

InChI=1S/C11H14OS.C3H7NO2/c1-2-3-6-12-10-7-9-4-5-11(10)13-8-9;1-2(4)3(5)6/h4-5,7H,2-3,6,8H2,1H3;2H,4H2,1H3,(H,5,6)