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

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,5-dimethylbenzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic 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-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CN3C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CN3C)C

InChI

InChI=1S/C19H18N2O4S/c1-12-6-13(2)8-14(7-12)18(23)25-17-10-24-15(9-16(17)22)11-26-19-20-4-5-21(19)3/h4-10H,11H2,1-3H3