3-methyl-5-(4-methylsulfanylphenyl)-2-[(2-phenoxyphenyl)methyl]-2-propan-2-yl-pent-4-ynoic acid

Systemtic Name: 3-methyl-5-(4-methylsulfanylphenyl)-2-[(2-phenoxyphenyl)methyl]-2-propan-2-yl-pent-4-ynoic acid Openeye Name: 2-isopropyl-3-methyl-5-(4-methylsulfanylphenyl)-2-[(2-phenoxyphenyl)methyl]pent-4-ynoic acid CAS Name: 3-methyl-5-[4-(methylthio)phenyl]-2-[(2-phenoxyphenyl)methyl]-2-propan-2-yl-4-pentynoic acid IUPAC Name: 3-methyl-5-(4-methylsulfanylphenyl)-2-[(2-phenoxyphenyl)methyl]-2-propan-2-ylpent-4-ynoic acid Traditional Name: 2-isopropyl-3-methyl-5-[4-(methylthio)phenyl]-2-(2-phenoxybenzyl)pent-4-ynoic acid Formula: C29H30O3S MolecularWeight: 458.6117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=CC=CC=C1OC2=CC=CC=C2)(C(C)C#CC3=CC=C(C=C3)SC)C(=O)O

Isomeric SMILES

CC(C)C(CC1=CC=CC=C1OC2=CC=CC=C2)(C(C)C#CC3=CC=C(C=C3)SC)C(=O)O

InChI

InChI=1S/C29H30O3S/c1-21(2)29(28(30)31,22(3)14-15-23-16-18-26(33-4)19-17-23)20-24-10-8-9-13-27(24)32-25-11-6-5-7-12-25/h5-13,16-19,21-22H,20H2,1-4H3,(H,30,31)