(4-nitrophenyl)methyl 3-methyl-2-[(3R,4R)-2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-prop-2-enylsulfanyl-azetidin-1-yl]but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[(3R,4R)-2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-prop-2-enylsulfanyl-azetidin-1-yl]but-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[(2R,3R)-2-allylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 3-methyl-2-[(3R,4R)-2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(prop-2-enylthio)-1-azetidinyl]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-methyl-2-[(3R,4R)-2-oxo-3-[(2-phenoxyacetyl)amino]-4-prop-2-enylsulfanylazetidin-1-yl]but-2-enoate Traditional Name: 2-[(2R,3R)-2-(allylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2[C@@H]([C@@H](C2=O)NC(=O)COC3=CC=CC=C3)SCC=C)C

InChI

InChI=1S/C26H27N3O7S/c1-4-14-37-25-22(27-21(30)16-35-20-8-6-5-7-9-20)24(31)28(25)23(17(2)3)26(32)36-15-18-10-12-19(13-11-18)29(33)34/h4-13,22,25H,1,14-16H2,2-3H3,(H,27,30)/t22-,25-/m1/s1