N-tert-butyl-2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-tert-butyl-2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzamide Openeye Name: N-tert-butyl-2-[(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanylmethyl]benzamide CAS Name: N-tert-butyl-2-[[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]methyl]benzamide IUPAC Name: N-tert-butyl-2-[(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanylmethyl]benzamide Traditional Name: N-tert-butyl-2-[[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]methyl]benzamide Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S/c1-23(2,3)24-21(26)17-12-8-7-11-16(17)14-29-20-18(25)13-19(28-22(20)27)15-9-5-4-6-10-15/h4-13,27H,14H2,1-3H3,(H,24,26)