2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylsulfanyl-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylsulfanyl-propanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylsulfanylpropanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(methylthio)propionic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCC(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14N2O5S/c1-20-5-8(11(15)16)14-12(17)13-7-2-3-9-10(4-7)19-6-18-9/h2-4,8H,5-6H2,1H3,(H,15,16)(H2,13,14,17)