2-(7-ethoxycarbonyl-2,5-dimethyl-4-oxidanylidene-thieno[3,4-d]pyrimidin-3-yl)ethanoic acid

Systemtic Name: 2-(7-ethoxycarbonyl-2,5-dimethyl-4-oxidanylidene-thieno[3,4-d]pyrimidin-3-yl)ethanoic acid Openeye Name: 2-(7-ethoxycarbonyl-2,5-dimethyl-4-oxo-thieno[3,4-d]pyrimidin-3-yl)acetic acid CAS Name: 2-(7-ethoxycarbonyl-2,5-dimethyl-4-oxo-3-thieno[3,4-d]pyrimidinyl)acetic acid IUPAC Name: 2-(7-ethoxycarbonyl-2,5-dimethyl-4-oxothieno[3,4-d]pyrimidin-3-yl)acetic acid Traditional Name: 2-(7-carbethoxy-4-keto-2,5-dimethyl-thieno[3,4-d]pyrimidin-3-yl)acetic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C)C(=O)N(C(=N2)C)CC(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-4-20-13(19)11-10-9(6(2)21-11)12(18)15(5-8(16)17)7(3)14-10/h4-5H2,1-3H3,(H,16,17)