methyl 3-oxidanyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propionic acid methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CN1C=NC2=C(C1=O)C=CS2

Isomeric SMILES

COC(=O)C(CO)NC(=O)CN1C=NC2=C(C1=O)C=CS2

InChI

InChI=1S/C12H13N3O5S/c1-20-12(19)8(5-16)14-9(17)4-15-6-13-10-7(11(15)18)2-3-21-10/h2-3,6,8,16H,4-5H2,1H3,(H,14,17)