(phenylmethyl) 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]but-3-enoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]but-3-enoate Openeye Name: benzyl 2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(benzenesulfonylthio)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(besylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid benzyl ester Formula: C29H28N2O7S2 MolecularWeight: 580.67182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O7S2/c1-20(2)26(29(34)38-18-21-12-6-3-7-13-21)31-27(33)25(30-24(32)19-37-22-14-8-4-9-15-22)28(31)39-40(35,36)23-16-10-5-11-17-23/h3-17,25-26,28H,1,18-19H2,2H3,(H,30,32)