[1-[(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]carbamic acid

Systemtic Name: [1-[(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]carbamic acid Openeye Name: [1-[(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]carbamic acid CAS Name: [1-[[6-hydroxy-4-oxo-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]methyl]cyclopentyl]carbamic acid IUPAC Name: [1-[(6-hydroxy-4-oxo-5-phenethylsulfanyl-2-phenyl-3H-pyran-2-yl)methyl]cyclopentyl]carbamic acid Traditional Name: [1-[[6-hydroxy-4-keto-5-(phenethylthio)-2-phenyl-3H-pyran-2-yl]methyl]cyclopentyl]carbamic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4)NC(=O)O

Isomeric SMILES

C1CCC(C1)(CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4)NC(=O)O

InChI

InChI=1S/C26H29NO5S/c28-21-17-26(20-11-5-2-6-12-20,18-25(27-24(30)31)14-7-8-15-25)32-23(29)22(21)33-16-13-19-9-3-1-4-10-19/h1-6,9-12,27,29H,7-8,13-18H2,(H,30,31)