3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-5-phenylmethoxy-6-propyl-2H-1-benzofuran

Systemtic Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-5-phenylmethoxy-6-propyl-2H-1-benzofuran Openeye Name: 5-benzyloxy-3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-6-propyl-2H-benzofuran CAS Name: 3,3-dimethyl-2-[2-[4-(methylthio)phenyl]ethyl]-5-phenylmethoxy-6-propyl-2H-benzofuran IUPAC Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-5-phenylmethoxy-6-propyl-2H-1-benzofuran Traditional Name: 5-benzoxy-3,3-dimethyl-2-[2-[4-(methylthio)phenyl]ethyl]-6-propyl-coumaran Formula: C29H34O2S MolecularWeight: 446.64406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCC3=CC=C(C=C3)SC)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCC3=CC=C(C=C3)SC)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34O2S/c1-5-9-23-18-27-25(19-26(23)30-20-22-10-7-6-8-11-22)29(2,3)28(31-27)17-14-21-12-15-24(32-4)16-13-21/h6-8,10-13,15-16,18-19,28H,5,9,14,17,20H2,1-4H3