2-(5-bromanyl-1-benzofuran-2-yl)ethyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)ethyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 2-(5-bromobenzofuran-2-yl)ethyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid 2-(5-bromo-2-benzofuranyl)ethyl ester IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)ethyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid 2-(5-bromobenzofuran-2-yl)ethyl ester Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C=C(O2)CCOC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC2=C(C=C1Br)C=C(O2)CCOC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C19H15BrN2O4S/c20-13-1-2-16-12(9-13)10-14(26-16)4-7-25-17(23)3-6-22-11-21-18-15(19(22)24)5-8-27-18/h1-2,5,8-11H,3-4,6-7H2