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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(piperonylcarbamoylamino)butyric acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H20N2O5S/c1-20-14(18)11(5-6-23-2)17-15(19)16-8-10-3-4-12-13(7-10)22-9-21-12/h3-4,7,11H,5-6,8-9H2,1-2H3,(H2,16,17,19)