tert-butyl 3-[[5-bromanyl-2,6-bis(oxidanylidene)-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: tert-butyl 3-[[5-bromanyl-2,6-bis(oxidanylidene)-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]thiophene-2-carboxylate Openeye Name: tert-butyl 3-[(5-bromo-2,6-dioxo-3-tetrahydrofuran-2-yl-pyrimidin-1-yl)methyl]thiophene-2-carboxylate CAS Name: 3-[[5-bromo-2,6-dioxo-3-(2-oxolanyl)-1-pyrimidinyl]methyl]-2-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-bromo-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 3-[[5-bromo-2,6-diketo-3-(tetrahydrofuryl)pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid tert-butyl ester Formula: C18H21BrN2O5S MolecularWeight: 457.33874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CS1)CN2C(=O)C(=CN(C2=O)C3CCCO3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CS1)CN2C(=O)C(=CN(C2=O)C3CCCO3)Br

InChI

InChI=1S/C18H21BrN2O5S/c1-18(2,3)26-16(23)14-11(6-8-27-14)9-21-15(22)12(19)10-20(17(21)24)13-5-4-7-25-13/h6,8,10,13H,4-5,7,9H2,1-3H3