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

Systemtic Name: 2-azanylpropanoic acid; 3-phenoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Openeye Name: 2-aminopropanoic acid; 3-phenoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene CAS Name: 2-aminopropanoic acid; 3-phenoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene IUPAC Name: 2-aminopropanoic acid; 3-phenoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Traditional Name: 2-aminopropionic acid; 3-phenoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N.C1C2=CC(=C(S1)C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N.C1C2=CC(=C(S1)C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C13H10OS.C3H7NO2/c1-2-4-11(5-3-1)14-12-8-10-6-7-13(12)15-9-10;1-2(4)3(5)6/h1-8H,9H2;2H,4H2,1H3,(H,5,6)