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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(piperonylcarbamoylamino)butyric acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O5S/c1-22-5-4-10(13(17)18)16-14(19)15-7-9-2-3-11-12(6-9)21-8-20-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,18)(H2,15,16,19)