methyl 2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate

Systemtic Name: methyl 2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate Openeye Name: methyl 2-[(4-phenoxyphenyl)methyl]tetrahydrothiopyran-2-carboxylate CAS Name: 2-[(4-phenoxyphenyl)methyl]-2-thianecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate Traditional Name: 2-(4-phenoxybenzyl)tetrahydrothiopyran-2-carboxylic acid methyl ester Formula: C20H22O3S MolecularWeight: 342.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCS1)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCS1)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22O3S/c1-22-19(21)20(13-5-6-14-24-20)15-16-9-11-18(12-10-16)23-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3