3-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyethanoyl)pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyethanoyl)pyrrol-1-yl]propanoic acid Openeye Name: 3-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[2,5-dimethyl-3-[1-oxo-2-(4-thieno[2,3-d]pyrimidinyloxy)ethyl]-1-pyrrolyl]propanoic acid IUPAC Name: 3-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]propionic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)O)C)C(=O)COC2=C3C=CSC3=NC=N2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)O)C)C(=O)COC2=C3C=CSC3=NC=N2

InChI

InChI=1S/C17H17N3O4S/c1-10-7-13(11(2)20(10)5-3-15(22)23)14(21)8-24-16-12-4-6-25-17(12)19-9-18-16/h4,6-7,9H,3,5,8H2,1-2H3,(H,22,23)