3-[6-ethyl-2-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 3-[6-ethyl-2-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 3-[6-ethyl-4-oxo-2-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[6-ethyl-2-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[6-ethyl-2-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 3-[6-ethyl-4-keto-2-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N2O3S/c1-3-13-10-14-17(24-13)19-16(12-6-4-11(2)5-7-12)20(18(14)23)9-8-15(21)22/h4-7,10H,3,8-9H2,1-2H3,(H,21,22)