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

Systemtic Name: (4-nitrophenyl)methyl 2-[3-methoxy-2-oxidanylidene-3-(2-phenylethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(benzenesulfonylsulfanyl)-3-methoxy-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(benzenesulfonylthio)-3-methoxy-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(benzenesulfonylsulfanyl)-3-methoxy-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(besylthio)-4-keto-3-methoxy-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C30H29N3O9S2 MolecularWeight: 639.69596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3O9S2/c1-20(2)26(27(35)42-19-22-14-16-23(17-15-22)33(37)38)32-28(36)30(41-3,31-25(34)18-21-10-6-4-7-11-21)29(32)43-44(39,40)24-12-8-5-9-13-24/h4-17,26,29H,1,18-19H2,2-3H3,(H,31,34)