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

Systemtic Name: 3-(5-methyl-4-oxidanylidene-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(6-isopropoxycarbonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-[5-methyl-4-oxo-6-[oxo(propan-2-yloxy)methyl]-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(5-methyl-4-oxo-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-(6-isopropoxycarbonyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-7(2)21-14(20)11-8(3)10-12(22-11)15-6-16(13(10)19)5-4-9(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)