(phenylmethyl) 3-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]but-2-enoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-methylsulfonyl-4-oxidanylidene-azetidin-1-yl]but-2-enoate Openeye Name: benzyl 2-[3-(tert-butoxycarbonylamino)-2-methylsulfonyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 3-methyl-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-methylsulfonyl-4-oxo-1-azetidinyl]-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-methylsulfonyl-4-oxoazetidin-1-yl]but-2-enoate Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-4-mesyl-azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)OC(C)(C)C)S(=O)(=O)C)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)OC(C)(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H28N2O7S/c1-13(2)16(19(25)29-12-14-10-8-7-9-11-14)23-17(24)15(18(23)31(6,27)28)22-20(26)30-21(3,4)5/h7-11,15,18H,12H2,1-6H3,(H,22,26)