2-methylpropyl 2-(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: 2-methylpropyl 2-(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: isobutyl 2-(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanyl-2-phenyl-acetate CAS Name: 2-[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]-2-phenylacetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]-2-phenyl-acetic acid isobutyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C1=CC=CC=C1)SC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)COC(=O)C(C1=CC=CC=C1)SC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

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