(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic 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 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H14BrN3O3S MolecularWeight: 492.34456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C23H14BrN3O3S/c24-14-9-10-20-25-15(11-21(28)27(20)12-14)13-30-23(29)17-6-2-1-5-16(17)22-26-18-7-3-4-8-19(18)31-22/h1-12H,13H2