methyl 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O5S/c1-19-13(17)10(5-6-22-2)16-14(18)15-9-3-4-11-12(7-9)21-8-20-11/h3-4,7,10H,5-6,8H2,1-2H3,(H2,15,16,18)