3-[[5-methyl-2,6-bis(oxidanylidene)-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[5-methyl-2,6-bis(oxidanylidene)-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(5-methyl-2,6-dioxo-3-tetrahydrofuran-2-yl-pyrimidin-1-yl)methyl]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[5-methyl-2,6-dioxo-3-(2-oxolanyl)-1-pyrimidinyl]methyl]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[5-methyl-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2,6-diketo-5-methyl-3-(tetrahydrofuryl)pyrimidin-1-yl]methyl]-5-phenyl-2-thenoic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C4CCCO4

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C4CCCO4

InChI

InChI=1S/C21H20N2O5S/c1-13-11-22(17-8-5-9-28-17)21(27)23(19(13)24)12-15-10-16(29-18(15)20(25)26)14-6-3-2-4-7-14/h2-4,6-7,10-11,17H,5,8-9,12H2,1H3,(H,25,26)