[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethoxybenzoate

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethoxybenzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C19H18N2O6S MolecularWeight: 402.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C19H18N2O6S/c1-21-5-4-20-19(21)28-11-15-9-16(22)17(10-26-15)27-18(23)12-6-13(24-2)8-14(7-12)25-3/h4-10H,11H2,1-3H3