(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H12BrN3O4S MolecularWeight: 434.26388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C17H12BrN3O4S/c1-2-24-13-6-10(7-19)5-12(18)15(13)25-14(22)8-21-9-20-16-11(17(21)23)3-4-26-16/h3-6,9H,2,8H2,1H3