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

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(3-methyl-2-propan-2-yl-cyclohexyl)oxysulfinyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(2-isopropyl-3-methyl-cyclohexoxy)sulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxysulfinyl-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxysulfinyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-(2-isopropyl-3-methyl-cyclohexoxy)sulfinyl-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C33H41N3O9S MolecularWeight: 655.75834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(C)C)OS(=O)C2C(C(=O)N2C(C(=C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1C(C)C)OS(=O)C2C(C(=O)N2C(C(=C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C33H41N3O9S/c1-20(2)28-22(5)10-9-13-26(28)45-46(42)32-29(34-27(37)19-43-25-11-7-6-8-12-25)31(38)35(32)30(21(3)4)33(39)44-18-23-14-16-24(17-15-23)36(40)41/h6-8,11-12,14-17,20,22,26,28-30,32H,3,9-10,13,18-19H2,1-2,4-5H3,(H,34,37)