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

Systemtic Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-5-phenylmethoxy-4-prop-2-enyl-2H-1-benzofuran Openeye Name: 4-allyl-5-benzyloxy-3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-2H-benzofuran CAS Name: 3,3-dimethyl-2-[2-[4-(methylthio)phenyl]ethyl]-5-phenylmethoxy-4-prop-2-enyl-2H-benzofuran IUPAC Name: 3,3-dimethyl-2-[2-(4-methylsulfanylphenyl)ethyl]-5-phenylmethoxy-4-prop-2-enyl-2H-1-benzofuran Traditional Name: 4-allyl-5-benzoxy-3,3-dimethyl-2-[2-[4-(methylthio)phenyl]ethyl]coumaran Formula: C29H32O2S MolecularWeight: 444.62818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2=C1C(=C(C=C2)OCC3=CC=CC=C3)CC=C)CCC4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1(C(OC2=C1C(=C(C=C2)OCC3=CC=CC=C3)CC=C)CCC4=CC=C(C=C4)SC)C

InChI

InChI=1S/C29H32O2S/c1-5-9-24-25(30-20-22-10-7-6-8-11-22)17-18-26-28(24)29(2,3)27(31-26)19-14-21-12-15-23(32-4)16-13-21/h5-8,10-13,15-18,27H,1,9,14,19-20H2,2-4H3