prop-2-enyl 4-methylsulfanyl-2-[[1-(2-pyridin-2-ylethyl)aziridin-2-yl]carbonylamino]butanoate

Systemtic Name: prop-2-enyl 4-methylsulfanyl-2-[[1-(2-pyridin-2-ylethyl)aziridin-2-yl]carbonylamino]butanoate Openeye Name: allyl 4-methylsulfanyl-2-[[1-[2-(2-pyridyl)ethyl]aziridine-2-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[1-[2-(2-pyridinyl)ethyl]-2-aziridinyl]methyl]amino]butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methylsulfanyl-2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[1-[2-(2-pyridyl)ethyl]ethylenimine-2-carbonyl]amino]butyric acid allyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC=C)NC(=O)C1CN1CCC2=CC=CC=N2

Isomeric SMILES

CSCCC(C(=O)OCC=C)NC(=O)C1CN1CCC2=CC=CC=N2

InChI

InChI=1S/C18H25N3O3S/c1-3-11-24-18(23)15(8-12-25-2)20-17(22)16-13-21(16)10-7-14-6-4-5-9-19-14/h3-6,9,15-16H,1,7-8,10-13H2,2H3,(H,20,22)