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

Systemtic Name: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic 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 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (5-keto-3-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C16H13BrN2O4S/c1-9-8-24-16-18-10(5-14(20)19(9)16)7-23-15(21)12-6-11(22-2)3-4-13(12)17/h3-6,8H,7H2,1-2H3