prop-2-enyl 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: prop-2-enyl 2-[[1-[(5-fluoranyl-2-methyl-phenyl)methyl]aziridin-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: allyl 2-[[1-[(5-fluoro-2-methyl-phenyl)methyl]aziridine-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[1-[(5-fluoro-2-methylphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[[1-[(5-fluoro-2-methylphenyl)methyl]aziridine-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(5-fluoro-2-methyl-benzyl)ethylenimine-2-carbonyl]amino]-4-(methylthio)butyric acid allyl ester Formula: C19H25FN2O3S MolecularWeight: 380.476803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NC(CCSC)C(=O)OCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN2CC2C(=O)NC(CCSC)C(=O)OCC=C

InChI

InChI=1S/C19H25FN2O3S/c1-4-8-25-19(24)16(7-9-26-3)21-18(23)17-12-22(17)11-14-10-15(20)6-5-13(14)2/h4-6,10,16-17H,1,7-9,11-12H2,2-3H3,(H,21,23)