sodium 2-azanyl-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoate

Systemtic Name: sodium 2-azanyl-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoate Openeye Name: sodium 2-amino-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoate CAS Name: sodium 2-amino-3-[2-(1,3-benzodioxol-5-yl)ethylthio]propanoate IUPAC Name: sodium 2-amino-3-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]propanoate Traditional Name: sodium 2-amino-3-(homopiperonylthio)propionate Formula: C12H14NNaO4S MolecularWeight: 291.29863

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSCC(C(=O)[O-])N.[Na+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSCC(C(=O)[O-])N.[Na+]

InChI

InChI=1S/C12H15NO4S.Na/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);/q;+1/p-1