methyl 4-[4,5-dimethyl-2-(oxan-2-yloxymethyl)phenyl]sulfanylbenzoate

Systemtic Name: methyl 4-[4,5-dimethyl-2-(oxan-2-yloxymethyl)phenyl]sulfanylbenzoate Openeye Name: methyl 4-[4,5-dimethyl-2-(tetrahydropyran-2-yloxymethyl)phenyl]sulfanylbenzoate CAS Name: 4-[[4,5-dimethyl-2-(2-oxanyloxymethyl)phenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[4,5-dimethyl-2-(oxan-2-yloxymethyl)phenyl]sulfanylbenzoate Traditional Name: 4-[[4,5-dimethyl-2-(tetrahydropyran-2-yloxymethyl)phenyl]thio]benzoic acid methyl ester Formula: C22H26O4S MolecularWeight: 386.50444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)SC2=CC=C(C=C2)C(=O)OC)COC3CCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1C)SC2=CC=C(C=C2)C(=O)OC)COC3CCCCO3

InChI

InChI=1S/C22H26O4S/c1-15-12-18(14-26-21-6-4-5-11-25-21)20(13-16(15)2)27-19-9-7-17(8-10-19)22(23)24-3/h7-10,12-13,21H,4-6,11,14H2,1-3H3