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

Systemtic Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 2-[5-(4-ethoxyphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 2-(4-keto-6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)C(C)C(=O)O)C

InChI

InChI=1S/C18H18N2O4S/c1-4-24-13-7-5-12(6-8-13)14-11(3)25-16-15(14)17(21)20(9-19-16)10(2)18(22)23/h5-10H,4H2,1-3H3,(H,22,23)