prop-2-enyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: prop-2-enyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: allyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[(1-piperonylethylenimine-2-carbonyl)amino]butyric acid allyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC=C)NC(=O)C1CN1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSCCC(C(=O)OCC=C)NC(=O)C1CN1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H24N2O5S/c1-3-7-24-19(23)14(6-8-27-2)20-18(22)15-11-21(15)10-13-4-5-16-17(9-13)26-12-25-16/h3-5,9,14-15H,1,6-8,10-12H2,2H3,(H,20,22)