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

Systemtic Name: 2-[3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanylidene-2-phenyl-2,3-dihydropyran-4-yl]propanoic acid Openeye Name: 2-[3-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-oxo-2-phenyl-2,3-dihydropyran-4-yl]propanoic acid CAS Name: 2-[3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-oxo-2-phenyl-2,3-dihydropyran-4-yl]propanoic acid IUPAC Name: 2-[3-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-oxo-2-phenyl-2,3-dihydropyran-4-yl]propanoic acid Traditional Name: 2-[3-[(2-isopropyl-5-methyl-phenyl)thio]-6-keto-2-phenyl-2,3-dihydropyran-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)SC2C(OC(=O)C=C2C(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2C(OC(=O)C=C2C(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H26O4S/c1-14(2)18-11-10-15(3)12-20(18)29-23-19(16(4)24(26)27)13-21(25)28-22(23)17-8-6-5-7-9-17/h5-14,16,22-23H,1-4H3,(H,26,27)