2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxidanylidene-3-(2-oxidanylidenepropyl)-4-sulfanyl-azetidin-1-yl]but-2-enoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxidanylidene-3-(2-oxidanylidenepropyl)-4-sulfanyl-azetidin-1-yl]but-2-enoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 2-[(3R,4R)-3-acetonyl-2-oxo-4-sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[(2R,3R)-2-mercapto-4-oxo-3-(2-oxopropyl)-1-azetidinyl]-3-methyl-2-butenoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxo-3-(2-oxopropyl)-4-sulfanylazetidin-1-yl]but-2-enoate Traditional Name: 2-[(3R,4R)-3-acetonyl-2-keto-4-mercapto-azetidin-1-yl]-3-methyl-but-2-enoic acid pivaloyloxymethyl ester Formula: C17H25NO6S MolecularWeight: 371.4485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCOC(=O)C(C)(C)C)N1C(C(C1=O)CC(=O)C)S)C

Isomeric SMILES

CC(=C(C(=O)OCOC(=O)C(C)(C)C)N1[C@@H]([C@@H](C1=O)CC(=O)C)S)C

InChI

InChI=1S/C17H25NO6S/c1-9(2)12(15(21)23-8-24-16(22)17(4,5)6)18-13(20)11(14(18)25)7-10(3)19/h11,14,25H,7-8H2,1-6H3/t11-,14-/m1/s1