[(1S,2R)-2-(phenylcarbonyloxymethyl)-3-(2-sulfanylidenepyridin-1-yl)oxycarbonyl-cyclobutyl]methyl benzoate

Systemtic Name: [(1S,2R)-2-(phenylcarbonyloxymethyl)-3-(2-sulfanylidenepyridin-1-yl)oxycarbonyl-cyclobutyl]methyl benzoate Openeye Name: [(1S,2R)-2-(benzoyloxymethyl)-3-[(2-thioxo-1-pyridyl)oxycarbonyl]cyclobutyl]methyl benzoate CAS Name: benzoic acid [(1S,2R)-2-(benzoyloxymethyl)-3-[oxo-[(2-sulfanylidene-1-pyridinyl)oxy]methyl]cyclobutyl]methyl ester IUPAC Name: [(1S,2R)-2-(benzoyloxymethyl)-3-(2-sulfanylidenepyridin-1-yl)oxycarbonylcyclobutyl]methyl benzoate Traditional Name: benzoic acid [(1S,2R)-2-(benzoyloxymethyl)-3-[(2-thioxo-1-pyridyl)oxycarbonyl]cyclobutyl]methyl ester Formula: C26H23NO6S MolecularWeight: 477.52892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1C(=O)ON2C=CC=CC2=S)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](C1C(=O)ON2C=CC=CC2=S)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO6S/c28-24(18-9-3-1-4-10-18)31-16-20-15-21(26(30)33-27-14-8-7-13-23(27)34)22(20)17-32-25(29)19-11-5-2-6-12-19/h1-14,20-22H,15-17H2/t20-,21?,22-/m1/s1