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

Systemtic Name: ethyl 5-methyl-2-[2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-4-oxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-methyl-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC(=CC=C3C=CC(=O)C(=C3)[N+](=O)[O-])NC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC(=CC=C3C=CC(=O)C(=C3)[N+](=O)[O-])NC2=O)C

InChI

InChI=1S/C18H15N3O6S/c1-3-27-18(24)15-9(2)14-16(23)19-13(20-17(14)28-15)7-5-10-4-6-12(22)11(8-10)21(25)26/h4-8,20H,3H2,1-2H3,(H,19,23)