ethyl 2-[2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-methyl-4-oxidanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-methyl-4-oxidanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[2-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-5-methyl-4-oxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[2-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-keto-5-methyl-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC(=CC=C3C=C(C(=O)C(=C3)Br)OC)NC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC(=CC=C3C=C(C(=O)C(=C3)Br)OC)NC2=O)C

InChI

InChI=1S/C19H17BrN2O5S/c1-4-27-19(25)16-9(2)14-17(24)21-13(22-18(14)28-16)6-5-10-7-11(20)15(23)12(8-10)26-3/h5-8,22H,4H2,1-3H3,(H,21,24)