ethyl 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanyl-butanoate

Systemtic Name: ethyl 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanyl-butanoate Openeye Name: ethyl 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanyl-butanoate CAS Name: 2-methyl-2-[[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]sulfanylbutanoate Traditional Name: 2-methyl-2-[[4-[(E)-3-(4-phenylphenyl)but-2-enoxy]phenyl]thio]butyric acid ethyl ester Formula: C29H32O3S MolecularWeight: 460.62758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OCC)SC1=CC=C(C=C1)OCC=C(C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C(=O)OCC)SC1=CC=C(C=C1)OC/C=C(\C)/C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H32O3S/c1-5-29(4,28(30)31-6-2)33-27-18-16-26(17-19-27)32-21-20-22(3)23-12-14-25(15-13-23)24-10-8-7-9-11-24/h7-20H,5-6,21H2,1-4H3/b22-20+