3-[5-(5-chloranylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]propanoic acid

Systemtic Name: 3-[5-(5-chloranylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]propanoic acid Openeye Name: 3-[5-(5-chloro-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]propanoic acid CAS Name: 3-[5-(5-chloro-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]propanoic acid IUPAC Name: 3-[5-(5-chlorothiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]propanoic acid Traditional Name: 3-[5-(5-chloro-2-thienyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]propionic acid Formula: C13H9ClN2O3S2 MolecularWeight: 340.80516

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C2=CSC3=C2C(=O)NC(=N3)CCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)C2=CSC3=C2C(=O)NC(=N3)CCC(=O)O

InChI

InChI=1S/C13H9ClN2O3S2/c14-8-2-1-7(21-8)6-5-20-13-11(6)12(19)15-9(16-13)3-4-10(17)18/h1-2,5H,3-4H2,(H,17,18)(H,15,16,19)