[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,4,5-triethoxybenzoate

Systemtic Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [4-keto-6-[[(4-methylpyrimidin-2-yl)thio]methyl]pyran-3-yl] ester Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C24H26N2O7S/c1-5-29-19-10-16(11-20(30-6-2)22(19)31-7-3)23(28)33-21-13-32-17(12-18(21)27)14-34-24-25-9-8-15(4)26-24/h8-13H,5-7,14H2,1-4H3