2-[5-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanylidene-2,3-dihydropyran-4-yl]-2,4-diphenyl-butanoic acid

Systemtic Name: 2-[5-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanylidene-2,3-dihydropyran-4-yl]-2,4-diphenyl-butanoic acid Openeye Name: 2-[5-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-oxo-2,3-dihydropyran-4-yl]-2,4-diphenyl-butanoic acid CAS Name: 2-[5-[(5-methyl-2-propan-2-ylphenyl)thio]-6-oxo-2,3-dihydropyran-4-yl]-2,4-diphenylbutanoic acid IUPAC Name: 2-[5-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-oxo-2,3-dihydropyran-4-yl]-2,4-diphenylbutanoic acid Traditional Name: 2-[5-[(2-isopropyl-5-methyl-phenyl)thio]-6-keto-2,3-dihydropyran-4-yl]-2,4-diphenyl-butyric acid Formula: C31H32O4S MolecularWeight: 500.64838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2=C(CCOC2=O)C(CCC3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2=C(CCOC2=O)C(CCC3=CC=CC=C3)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H32O4S/c1-21(2)25-15-14-22(3)20-27(25)36-28-26(17-19-35-29(28)32)31(30(33)34,24-12-8-5-9-13-24)18-16-23-10-6-4-7-11-23/h4-15,20-21H,16-19H2,1-3H3,(H,33,34)