(2R)-2-[2-ethyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: (2R)-2-[2-ethyl-5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: (2R)-2-[2-ethyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: (2R)-2-[2-ethyl-5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: (2R)-2-[2-ethyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: (2R)-2-[2-ethyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1C(C)C(=O)[O-]

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)N1[C@H](C)C(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-4-14-19-16-15(17(21)20(14)11(3)18(22)23)13(9-24-16)12-7-5-10(2)6-8-12/h5-9,11H,4H2,1-3H3,(H,22,23)/p-1/t11-/m1/s1