2-methylpropyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-methylpropyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate Openeye Name: isobutyl 2-[(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]methyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]methyl]benzoic acid isobutyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC=C1CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC=C1CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C23H22O5S/c1-15(2)13-27-22(25)18-11-7-6-10-17(18)14-29-21-19(24)12-20(28-23(21)26)16-8-4-3-5-9-16/h3-12,15,26H,13-14H2,1-2H3