[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-(oxolan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 2-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 2-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 2-(2-oxolanylmethylthio)benzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(tetrahydrofurfurylthio)benzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=CC=C2SCC3CCCO3

InChI

InChI=1S/C19H22N2O5S/c1-20-13(10-17(22)21(2)19(20)24)11-26-18(23)15-7-3-4-8-16(15)27-12-14-6-5-9-25-14/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3