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

Systemtic Name: 3-[5-(4-chlorophenyl)-2-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(4-chlorophenyl)-2-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(4-chlorophenyl)-2-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(4-chlorophenyl)-2-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(4-chlorophenyl)-2-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N1CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N1CCC(=O)O

InChI

InChI=1S/C17H15ClN2O3S/c1-2-13-19-16-15(17(23)20(13)8-7-14(21)22)12(9-24-16)10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,21,22)