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

Systemtic Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 3,4-diethoxybenzoate Openeye Name: [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [4-keto-6-[[(4-methylpyrimidin-2-yl)thio]methyl]pyran-3-yl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC(=N3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC(=N3)C)OCC

InChI

InChI=1S/C22H22N2O6S/c1-4-27-18-7-6-15(10-19(18)28-5-2)21(26)30-20-12-29-16(11-17(20)25)13-31-22-23-9-8-14(3)24-22/h6-12H,4-5,13H2,1-3H3