(phenylmethyl) 2-[2-methyl-2-[2-(4-nitrophenyl)-2-sulfanylidene-ethyl]-4-oxidanylidene-azetidin-1-yl]-2-oxidanyl-ethanoate

Systemtic Name: (phenylmethyl) 2-[2-methyl-2-[2-(4-nitrophenyl)-2-sulfanylidene-ethyl]-4-oxidanylidene-azetidin-1-yl]-2-oxidanyl-ethanoate Openeye Name: benzyl 2-hydroxy-2-[2-methyl-2-[2-(4-nitrophenyl)-2-thioxo-ethyl]-4-oxo-azetidin-1-yl]acetate CAS Name: 2-hydroxy-2-[2-methyl-2-[2-(4-nitrophenyl)-2-sulfanylideneethyl]-4-oxo-1-azetidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-hydroxy-2-[2-methyl-2-[2-(4-nitrophenyl)-2-sulfanylideneethyl]-4-oxoazetidin-1-yl]acetate Traditional Name: 2-hydroxy-2-[4-keto-2-methyl-2-[2-(4-nitrophenyl)-2-thioxo-ethyl]azetidin-1-yl]acetic acid benzyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N1C(C(=O)OCC2=CC=CC=C2)O)CC(=S)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1(CC(=O)N1C(C(=O)OCC2=CC=CC=C2)O)CC(=S)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S/c1-21(11-17(30)15-7-9-16(10-8-15)23(27)28)12-18(24)22(21)19(25)20(26)29-13-14-5-3-2-4-6-14/h2-10,19,25H,11-13H2,1H3