4-[5-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate

Systemtic Name: 4-[5-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate Openeye Name: 4-[5-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-2-furyl]benzoate CAS Name: 4-[5-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-2-furanyl]benzoate IUPAC Name: 4-[5-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate Traditional Name: 4-[5-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)-2-furyl]benzoate Formula: C19H13N2O4S- MolecularWeight: 365.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])C

InChI

InChI=1S/C19H14N2O4S/c1-9-10(2)26-18-15(9)17(22)20-16(21-18)14-8-7-13(25-14)11-3-5-12(6-4-11)19(23)24/h3-8H,1-2H3,(H,23,24)(H,20,21,22)/p-1