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

Systemtic Name: prop-2-enyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: allyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)ethylenimine-2-carbonyl]amino]-4-(methylthio)butyric acid allyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC2C(=O)NC(CCSC)C(=O)OCC=C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC2C(=O)NC(CCSC)C(=O)OCC=C)OC

InChI

InChI=1S/C20H28N2O5S/c1-5-7-27-20(24)17(6-8-28-4)21-19(23)18-13-22(18)12-14-9-15(25-2)11-16(10-14)26-3/h5,9-11,17-18H,1,6-8,12-13H2,2-4H3,(H,21,23)