(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)Br)OC

InChI

InChI=1S/C19H19BrN2O5S/c1-5-26-13-7-11(6-12(20)16(13)25-4)19(24)27-8-14-21-17(23)15-9(2)10(3)28-18(15)22-14/h6-7H,5,8H2,1-4H3,(H,21,22,23)