methyl 2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]buta-2,3-dienoate

Systemtic Name: methyl 2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4-(phenylsulfonylsulfanyl)azetidin-1-yl]buta-2,3-dienoate Openeye Name: methyl 2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]buta-2,3-dienoate CAS Name: 2-[2-(benzenesulfonylthio)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]buta-2,3-dienoic acid methyl ester IUPAC Name: methyl 2-[2-(benzenesulfonylsulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]buta-2,3-dienoate Traditional Name: 2-[2-(besylthio)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]buta-2,3-dienoic acid methyl ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C=C)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=C=C)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S2/c1-3-17(22(27)30-2)24-20(26)19(23-18(25)14-15-10-6-4-7-11-15)21(24)31-32(28,29)16-12-8-5-9-13-16/h4-13,19,21H,1,14H2,2H3,(H,23,25)