3-(2,5-dimethyl-4-oxidanylidene-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: 3-(2,5-dimethyl-4-oxidanylidene-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(6-isopropoxycarbonyl-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-[2,5-dimethyl-4-oxo-6-[oxo(propan-2-yloxy)methyl]-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(2,5-dimethyl-4-oxo-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-(6-isopropoxycarbonyl-4-keto-2,5-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C)CCC(=O)O)C(=O)OC(C)C

InChI

InChI=1S/C15H18N2O5S/c1-7(2)22-15(21)12-8(3)11-13(23-12)16-9(4)17(14(11)20)6-5-10(18)19/h7H,5-6H2,1-4H3,(H,18,19)