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

Systemtic Name: methyl 4-[2-oxidanyl-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propoxy]benzoic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-23-17(22)11-2-4-13(5-3-11)24-9-12(20)8-19-10-18-15-14(16(19)21)6-7-25-15/h2-7,10,12,20H,8-9H2,1H3