diethyl 2-[[(2R,3R)-3-methyl-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[[(2R,3R)-3-methyl-1-(4-methylphenyl)sulfonyl-aziridin-2-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[[(2R,3R)-3-methyl-1-(p-tolylsulfonyl)aziridine-2-carbonyl]amino]propanedioate CAS Name: 2-[[[(2R,3R)-3-methyl-1-(4-methylphenyl)sulfonyl-2-aziridinyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2R,3R)-3-methyl-1-(4-methylphenyl)sulfonylaziridine-2-carbonyl]amino]propanedioate Traditional Name: 2-[[(2R,3R)-3-methyl-1-tosyl-ethylenimine-2-carbonyl]amino]malonic acid diethyl ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)[C@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H24N2O7S/c1-5-26-17(22)14(18(23)27-6-2)19-16(21)15-12(4)20(15)28(24,25)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3,(H,19,21)/t12-,15-,20?/m1/s1