methyl 4-methylsulfanyl-2-[[1-(phenylmethyl)aziridin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[1-(phenylmethyl)aziridin-2-yl]carbonylamino]butanoate Openeye Name: methyl 2-[(1-benzylaziridine-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[oxo-[1-(phenylmethyl)-2-aziridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(1-benzylaziridine-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(1-benzylethylenimine-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CN1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1CN1CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3S/c1-21-16(20)13(8-9-22-2)17-15(19)14-11-18(14)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,17,19)