methyl 1,1-bis(oxidanylidene)-2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate

Systemtic Name: methyl 1,1-bis(oxidanylidene)-2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate Openeye Name: methyl 1,1-dioxo-2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate CAS Name: 1,1-dioxo-2-[(4-phenoxyphenyl)methyl]-2-thianecarboxylic acid methyl ester IUPAC Name: methyl 1,1-dioxo-2-[(4-phenoxyphenyl)methyl]thiane-2-carboxylate Traditional Name: 1,1-diketo-2-(4-phenoxybenzyl)thiane-2-carboxylic acid methyl ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O5S/c1-24-19(21)20(13-5-6-14-26(20,22)23)15-16-9-11-18(12-10-16)25-17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-15H2,1H3