methyl (2S,3R)-2-[(4-methylphenyl)sulfonylamino]-3-(3-oxidanylidenebutanoyloxy)butanoate

Systemtic Name: methyl (2S,3R)-2-[(4-methylphenyl)sulfonylamino]-3-(3-oxidanylidenebutanoyloxy)butanoate Openeye Name: methyl (2S,3R)-3-(3-oxobutanoyloxy)-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S,3R)-3-(1,3-dioxobutoxy)-2-[(4-methylphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-[(4-methylphenyl)sulfonylamino]-3-(3-oxobutanoyloxy)butanoate Traditional Name: (2S,3R)-3-acetoacetyloxy-2-(tosylamino)butyric acid methyl ester Formula: C16H21NO7S MolecularWeight: 371.40544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)OC(=O)CC(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C)OC(=O)CC(=O)C)C(=O)OC

InChI

InChI=1S/C16H21NO7S/c1-10-5-7-13(8-6-10)25(21,22)17-15(16(20)23-4)12(3)24-14(19)9-11(2)18/h5-8,12,15,17H,9H2,1-4H3/t12-,15+/m1/s1