methyl 2-[4-[1,3-bis(phenylmethoxy)propyl]-2-sulfanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4-[1,3-bis(phenylmethoxy)propyl]-2-sulfanyl-phenyl]ethanoate Openeye Name: methyl 2-[4-(1,3-dibenzyloxypropyl)-2-sulfanyl-phenyl]acetate CAS Name: 2-[4-[1,3-bis(phenylmethoxy)propyl]-2-mercaptophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1,3-bis(phenylmethoxy)propyl]-2-sulfanylphenyl]acetate Traditional Name: 2-[4-(1,3-dibenzoxypropyl)-2-mercapto-phenyl]acetic acid methyl ester Formula: C26H28O4S MolecularWeight: 436.56312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=C(C=C1)C(CCOCC2=CC=CC=C2)OCC3=CC=CC=C3)S

Isomeric SMILES

COC(=O)CC1=C(C=C(C=C1)C(CCOCC2=CC=CC=C2)OCC3=CC=CC=C3)S

InChI

InChI=1S/C26H28O4S/c1-28-26(27)17-23-13-12-22(16-25(23)31)24(30-19-21-10-6-3-7-11-21)14-15-29-18-20-8-4-2-5-9-20/h2-13,16,24,31H,14-15,17-19H2,1H3