(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-bromanyl-5-methoxy-benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C15H11BrN2O4S MolecularWeight: 395.22784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C15H11BrN2O4S/c1-21-8-2-3-10(16)9(6-8)15(20)22-7-12-17-11-4-5-23-13(11)14(19)18-12/h2-6H,7H2,1H3,(H,17,18,19)