phenacyl 3-methyl-2-[2-oxidanylidene-4-phenethylsulfanylsulfinyl-3-[(2-phenyl-2-phenylmethoxy-ethanoyl)amino]azetidin-1-yl]but-3-enoate

Systemtic Name: phenacyl 3-methyl-2-[2-oxidanylidene-4-phenethylsulfanylsulfinyl-3-[(2-phenyl-2-phenylmethoxy-ethanoyl)amino]azetidin-1-yl]but-3-enoate Openeye Name: phenacyl 2-[3-[(2-benzyloxy-2-phenyl-acetyl)amino]-2-oxo-4-phenethylsulfanylsulfinyl-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenyl-2-phenylmethoxyethyl)amino]-4-(phenethylthio)sulfinyl-1-azetidinyl]-3-butenoic acid phenacyl ester IUPAC Name: phenacyl 3-methyl-2-[2-oxo-4-phenethylsulfanylsulfinyl-3-[(2-phenyl-2-phenylmethoxyacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 2-[3-[(2-benzoxy-2-phenyl-acetyl)amino]-2-keto-4-(phenethylthio)sulfinyl-azetidin-1-yl]-3-methyl-but-3-enoic acid phenacyl ester Formula: C39H38N2O7S2 MolecularWeight: 710.85822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)OCC4=CC=CC=C4)S(=O)SCCC5=CC=CC=C5

Isomeric SMILES

CC(=C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)OCC4=CC=CC=C4)S(=O)SCCC5=CC=CC=C5

InChI

InChI=1S/C39H38N2O7S2/c1-27(2)34(39(45)48-26-32(42)30-19-11-5-12-20-30)41-37(44)33(38(41)50(46)49-24-23-28-15-7-3-8-16-28)40-36(43)35(31-21-13-6-14-22-31)47-25-29-17-9-4-10-18-29/h3-22,33-35,38H,1,23-26H2,2H3,(H,40,43)