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

Systemtic Name: 3-[5-(2,4-dimethylphenyl)-2-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[5-(2,4-dimethylphenyl)-2-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[5-(2,4-dimethylphenyl)-2-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[5-(2,4-dimethylphenyl)-2-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[5-(2,4-dimethylphenyl)-2-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-4-15-20-18-17(19(24)21(15)8-7-16(22)23)14(10-25-18)13-6-5-11(2)9-12(13)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,22,23)