(4-nitrophenyl)methyl 2-[2-tert-butylsulfanylsulfinyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-tert-butylsulfanylsulfinyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-tert-butylsulfanylsulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(tert-butylthio)sulfinyl-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-tert-butylsulfanylsulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(tert-butylthio)sulfinyl-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C27H31N3O8S2 MolecularWeight: 589.68034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)SC(C)(C)C

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)S(=O)SC(C)(C)C

InChI

InChI=1S/C27H31N3O8S2/c1-17(2)23(26(33)38-15-18-11-13-19(14-12-18)30(34)35)29-24(32)22(25(29)40(36)39-27(3,4)5)28-21(31)16-37-20-9-7-6-8-10-20/h6-14,22-23,25H,1,15-16H2,2-5H3,(H,28,31)