4-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-2-yl]butanamide

Systemtic Name: 4-[6-oxidanyl-4-oxidanylidene-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-2-yl]butanamide Openeye Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2-phenyl-3H-pyran-2-yl)butanamide CAS Name: 4-[6-hydroxy-4-oxo-2-phenyl-5-(phenylmethylthio)-3H-pyran-2-yl]butanamide IUPAC Name: 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2-phenyl-3H-pyran-2-yl)butanamide Traditional Name: 4-[5-(benzylthio)-6-hydroxy-4-keto-2-phenyl-3H-pyran-2-yl]butyramide Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(OC1(CCCC(=O)N)C2=CC=CC=C2)O)SCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)C(=C(OC1(CCCC(=O)N)C2=CC=CC=C2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4S/c23-19(25)12-7-13-22(17-10-5-2-6-11-17)14-18(24)20(21(26)27-22)28-15-16-8-3-1-4-9-16/h1-6,8-11,26H,7,12-15H2,(H2,23,25)