(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-benzofuran-2-carboxylate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-benzofuran-2-carboxylate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H14N2O4S/c25-20-19-15(13-6-2-1-3-7-13)12-29-21(19)24-18(23-20)11-27-22(26)17-10-14-8-4-5-9-16(14)28-17/h1-10,12H,11H2,(H,23,24,25)