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

Systemtic Name: 2-[3-(5-methyl-2-propan-2-yl-phenyl)sulfanyl-6-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-4-yl]ethanoic acid Openeye Name: 2-[3-(2-isopropyl-5-methyl-phenyl)sulfanyl-6-oxo-2-phenethyl-2-phenyl-3H-pyran-4-yl]acetic acid CAS Name: 2-[3-[(5-methyl-2-propan-2-ylphenyl)thio]-6-oxo-2-phenethyl-2-phenyl-3H-pyran-4-yl]acetic acid IUPAC Name: 2-[3-(5-methyl-2-propan-2-ylphenyl)sulfanyl-6-oxo-2-phenethyl-2-phenyl-3H-pyran-4-yl]acetic acid Traditional Name: 2-[3-[(2-isopropyl-5-methyl-phenyl)thio]-6-keto-2-phenethyl-2-phenyl-3H-pyran-4-yl]acetic acid Formula: C31H32O4S MolecularWeight: 500.64838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC2C(=CC(=O)OC2(CCC3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC2C(=CC(=O)OC2(CCC3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O

InChI

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