(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H10BrN3O3S MolecularWeight: 416.2486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)SC=N2

InChI

InChI=1S/C17H10BrN3O3S/c18-11-2-4-15-20-12(6-16(22)21(15)7-11)8-24-17(23)10-1-3-13-14(5-10)25-9-19-13/h1-7,9H,8H2