2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-(methylthio)butyric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-21-5-4-9(12(16)17)15-13(18)14-8-2-3-10-11(6-8)20-7-19-10/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)(H2,14,15,18)