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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CC)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CC)CCC(=O)O

InChI

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