[(1S,2S)-2-(phenylcarbonyloxymethyl)-3-pyridin-2-ylsulfanyl-cyclobutyl]methyl benzoate

Systemtic Name: [(1S,2S)-2-(phenylcarbonyloxymethyl)-3-pyridin-2-ylsulfanyl-cyclobutyl]methyl benzoate Openeye Name: [(1S,2S)-2-(benzoyloxymethyl)-3-(2-pyridylsulfanyl)cyclobutyl]methyl benzoate CAS Name: benzoic acid [(1S,2S)-2-(benzoyloxymethyl)-3-(2-pyridinylthio)cyclobutyl]methyl ester IUPAC Name: [(1S,2S)-2-(benzoyloxymethyl)-3-pyridin-2-ylsulfanylcyclobutyl]methyl benzoate Traditional Name: benzoic acid [(1S,2S)-2-(benzoyloxymethyl)-3-(2-pyridylthio)cyclobutyl]methyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1SC2=CC=CC=N2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@H](C1SC2=CC=CC=N2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO4S/c27-24(18-9-3-1-4-10-18)29-16-20-15-22(31-23-13-7-8-14-26-23)21(20)17-30-25(28)19-11-5-2-6-12-19/h1-14,20-22H,15-17H2/t20-,21-,22?/m1/s1