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

Systemtic Name: 3-(2-ethyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(2-ethyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-(2-ethyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)propanoic acid IUPAC Name: 3-(2-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-(2-ethyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-2-13-18-16-15(17(22)19(13)9-8-14(20)21)12(10-23-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,20,21)