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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C21H13N3O4S/c25-20-19-16(8-9-29-19)22-17(23-20)11-27-21(26)13-6-7-15-14(10-13)18(28-24-15)12-4-2-1-3-5-12/h1-10H,11H2,(H,22,23,25)