3-methyl-2-oxidanylidene-3-(phenylmethylsulfanyl)-4-(6-phenyl-2H-pyran-4-yl)butanoic acid

Systemtic Name: 3-methyl-2-oxidanylidene-3-(phenylmethylsulfanyl)-4-(6-phenyl-2H-pyran-4-yl)butanoic acid Openeye Name: 3-benzylsulfanyl-3-methyl-2-oxo-4-(6-phenyl-2H-pyran-4-yl)butanoic acid CAS Name: 3-methyl-2-oxo-3-(phenylmethylthio)-4-(6-phenyl-2H-pyran-4-yl)butanoic acid IUPAC Name: 3-benzylsulfanyl-3-methyl-2-oxo-4-(6-phenyl-2H-pyran-4-yl)butanoic acid Traditional Name: 3-(benzylthio)-2-keto-3-methyl-4-(6-phenyl-2H-pyran-4-yl)butyric acid Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CCOC(=C1)C2=CC=CC=C2)(C(=O)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CCOC(=C1)C2=CC=CC=C2)(C(=O)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C23H22O4S/c1-23(21(24)22(25)26,28-16-17-8-4-2-5-9-17)15-18-12-13-27-20(14-18)19-10-6-3-7-11-19/h2-12,14H,13,15-16H2,1H3,(H,25,26)