(4-nitrophenyl)methyl (Z)-2-(3-acetamido-2-oxidanylidene-4-phenylmethoxycarbonylsulfanyl-azetidin-1-yl)-4-bromanyl-3-morpholin-4-yl-but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (Z)-2-(3-acetamido-2-oxidanylidene-4-phenylmethoxycarbonylsulfanyl-azetidin-1-yl)-4-bromanyl-3-morpholin-4-yl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl (Z)-2-(3-acetamido-2-benzyloxycarbonylsulfanyl-4-oxo-azetidin-1-yl)-4-bromo-3-morpholino-but-2-enoate CAS Name: (Z)-2-[3-acetamido-2-oxo-4-(phenylmethoxycarbonylthio)-1-azetidinyl]-4-bromo-3-(4-morpholinyl)-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (Z)-2-(3-acetamido-2-oxo-4-phenylmethoxycarbonylsulfanylazetidin-1-yl)-4-bromo-3-morpholin-4-ylbut-2-enoate Traditional Name: (Z)-2-[3-acetamido-2-(carbobenzoxythio)-4-keto-azetidin-1-yl]-4-bromo-3-morpholino-but-2-enoic acid (4-nitrobenzyl) ester Formula: C28H29BrN4O9S MolecularWeight: 677.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(=C(CBr)N2CCOCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1C(N(C1=O)/C(=C(/CBr)\N2CCOCC2)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29BrN4O9S/c1-18(34)30-23-25(35)32(26(23)43-28(37)42-17-19-5-3-2-4-6-19)24(22(15-29)31-11-13-40-14-12-31)27(36)41-16-20-7-9-21(10-8-20)33(38)39/h2-10,23,26H,11-17H2,1H3,(H,30,34)/b24-22-