2-azanylpropanoic acid; 5-methoxy-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene

Systemtic Name: 2-azanylpropanoic acid; 5-methoxy-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene Openeye Name: 2-aminopropanoic acid; 5-methoxy-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene CAS Name: 2-aminopropanoic acid; 5-methoxy-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene IUPAC Name: 2-aminopropanoic acid; 5-methoxy-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene Traditional Name: 2-aminopropionic acid; 5-methoxy-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N.COC1=CC=CC2=C1SC2

Isomeric SMILES

CC(C(=O)O)N.COC1=CC=CC2=C1SC2

InChI

InChI=1S/C8H8OS.C3H7NO2/c1-9-7-4-2-3-6-5-10-8(6)7;1-2(4)3(5)6/h2-4H,5H2,1H3;2H,4H2,1H3,(H,5,6)