3-[2-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanylidene-2-phenyl-3H-pyran-4-yl]propanoic acid

Systemtic Name: 3-[2-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanylidene-2-phenyl-3H-pyran-4-yl]propanoic acid Openeye Name: 3-[2-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-oxo-2-phenyl-3H-pyran-4-yl]propanoic acid CAS Name: 3-[2-[(5-methyl-2-propan-2-ylphenyl)thio]-6-oxo-2-phenyl-3H-pyran-4-yl]propanoic acid IUPAC Name: 3-[2-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-oxo-2-phenyl-3H-pyran-4-yl]propanoic acid Traditional Name: 3-[2-[(2-isopropyl-5-methyl-phenyl)thio]-6-keto-2-phenyl-3H-pyran-4-yl]propionic acid Formula: C24H26O4S MolecularWeight: 410.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2(CC(=CC(=O)O2)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2(CC(=CC(=O)O2)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H26O4S/c1-16(2)20-11-9-17(3)13-21(20)29-24(19-7-5-4-6-8-19)15-18(10-12-22(25)26)14-23(27)28-24/h4-9,11,13-14,16H,10,12,15H2,1-3H3,(H,25,26)