(2-phenoxyphenyl)methyl 3-methyl-5-(4-methylsulfanylphenyl)-2-propan-2-yl-pent-4-ynoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C#CC1=CC=C(C=C1)SC)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(C)C#CC1=CC=C(C=C1)SC)C(=O)OCC2=CC=CC=C2OC3=CC=CC=C3

InChI

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