methyl 2-[2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-dithian-2-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[2-(3-methoxy-4-phenylmethoxy-phenyl)-1,3-dithian-2-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[2-(4-benzyloxy-3-methoxy-phenyl)-1,3-dithian-2-yl]-2-oxo-acetate CAS Name: 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-dithian-2-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-dithian-2-yl]-2-oxoacetate Traditional Name: 2-[2-(4-benzoxy-3-methoxy-phenyl)-1,3-dithian-2-yl]-2-keto-acetic acid methyl ester Formula: C21H22O5S2 MolecularWeight: 418.52638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2(SCCCS2)C(=O)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2(SCCCS2)C(=O)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22O5S2/c1-24-18-13-16(9-10-17(18)26-14-15-7-4-3-5-8-15)21(19(22)20(23)25-2)27-11-6-12-28-21/h3-5,7-10,13H,6,11-12,14H2,1-2H3