2-azanyl-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-(homopiperonylthio)propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSCC(C(=O)O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSCC(C(=O)O)N

InChI

InChI=1S/C12H15NO4S/c13-9(12(14)15)6-18-4-3-8-1-2-10-11(5-8)17-7-16-10/h1-2,5,9H,3-4,6-7,13H2,(H,14,15)