(3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C15H10BrN3O5S MolecularWeight: 424.226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H10BrN3O5S/c1-8-7-25-15-17-10(5-13(20)18(8)15)6-24-14(21)9-2-3-11(16)12(4-9)19(22)23/h2-5,7H,6H2,1H3