tert-butyl 2-(5-bromanyl-6-oxidanylidene-2-thiophen-2-yl-pyrimidin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(5-bromanyl-6-oxidanylidene-2-thiophen-2-yl-pyrimidin-1-yl)ethanoate Openeye Name: tert-butyl 2-[5-bromo-6-oxo-2-(2-thienyl)pyrimidin-1-yl]acetate CAS Name: 2-(5-bromo-6-oxo-2-thiophen-2-yl-1-pyrimidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-bromo-6-oxo-2-thiophen-2-ylpyrimidin-1-yl)acetate Traditional Name: 2-[5-bromo-6-keto-2-(2-thienyl)pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C14H15BrN2O3S MolecularWeight: 371.2495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=NC=C(C1=O)Br)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=NC=C(C1=O)Br)C2=CC=CS2

InChI

InChI=1S/C14H15BrN2O3S/c1-14(2,3)20-11(18)8-17-12(10-5-4-6-21-10)16-7-9(15)13(17)19/h4-7H,8H2,1-3H3