(phenylmethyl) 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-3-enoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-[(4-nitrophenyl)sulfonylthio]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[2-(4-nitrophenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-4-(nosylthio)-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid benzyl ester Formula: C29H27N3O8S2 MolecularWeight: 609.66998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O8S2/c1-19(2)26(29(35)40-18-21-11-7-4-8-12-21)31-27(34)25(30-24(33)17-20-9-5-3-6-10-20)28(31)41-42(38,39)23-15-13-22(14-16-23)32(36)37/h3-16,25-26,28H,1,17-18H2,2H3,(H,30,33)