(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-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 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H9N3O3S2 MolecularWeight: 343.38026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)SC=N2

InChI

InChI=1S/C15H9N3O3S2/c19-14-13-10(3-4-22-13)17-12(18-14)6-21-15(20)8-1-2-9-11(5-8)23-7-16-9/h1-5,7H,6H2,(H,17,18,19)