(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-azanyl-5-bromanyl-benzoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-azanyl-5-bromanyl-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C14H10BrN3O3S MolecularWeight: 380.2165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC2=CC(=O)N3C=CSC3=N2)N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC2=CC(=O)N3C=CSC3=N2)N

InChI

InChI=1S/C14H10BrN3O3S/c15-8-1-2-11(16)10(5-8)13(20)21-7-9-6-12(19)18-3-4-22-14(18)17-9/h1-6H,7,16H2