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

Systemtic Name: 3-(2-ethyl-5-naphthalen-2-yl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-[2-ethyl-5-(2-naphthyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 3-[2-ethyl-5-(2-naphthalenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(2-ethyl-5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[2-ethyl-4-keto-5-(2-naphthyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)N1CCC(=O)O

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)N1CCC(=O)O

InChI

InChI=1S/C21H18N2O3S/c1-2-17-22-20-19(21(26)23(17)10-9-18(24)25)16(12-27-20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,2,9-10H2,1H3,(H,24,25)