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

Systemtic Name: methyl 2-methyl-2-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]propanoate Openeye Name: methyl 2-methyl-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate CAS Name: 2-methyl-2-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoate Traditional Name: 2-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methyl-propionic acid methyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=CS2

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=CS2

InChI

InChI=1S/C13H15N3O4S/c1-13(2,12(19)20-3)15-9(17)6-16-7-14-10-8(11(16)18)4-5-21-10/h4-5,7H,6H2,1-3H3,(H,15,17)