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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-3-14-19-17-16(18(23)20(14)8-7-15(21)22)13(10-25-17)11-5-4-6-12(9-11)24-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,21,22)