ethyl 4-[(2R)-2-oxidanyl-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propoxy]benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CN2C=NC3=C(C2=O)C=CS3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CN2C=NC3=C(C2=O)C=CS3)O

InChI

InChI=1S/C18H18N2O5S/c1-2-24-18(23)12-3-5-14(6-4-12)25-10-13(21)9-20-11-19-16-15(17(20)22)7-8-26-16/h3-8,11,13,21H,2,9-10H2,1H3/t13-/m1/s1