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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-propan-2-ylsulfanylsulfinyl-azetidin-1-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-isopropylsulfanylsulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(propan-2-ylthio)sulfinyl-1-azetidinyl]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-propan-2-ylsulfanylsulfinylazetidin-1-yl]but-3-enoate Traditional Name: 2-[2-(isopropylthio)sulfinyl-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C26H29N3O8S2 MolecularWeight: 575.65376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SS(=O)C1C(C(=O)N1C(C(=C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)SS(=O)C1C(C(=O)N1C(C(=C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O8S2/c1-16(2)23(26(32)37-14-18-10-12-19(13-11-18)29(33)34)28-24(31)22(25(28)39(35)38-17(3)4)27-21(30)15-36-20-8-6-5-7-9-20/h5-13,17,22-23,25H,1,14-15H2,2-4H3,(H,27,30)