ethyl 3-(2,5-dimethylpyrrol-1-yl)-5-methyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylate

Systemtic Name: ethyl 3-(2,5-dimethylpyrrol-1-yl)-5-methyl-4-oxidanylidene-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylate Openeye Name: ethyl 3-(2,5-dimethylpyrrol-1-yl)-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylate CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,5-dimethylpyrrol-1-yl)-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylate Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-4-keto-5-methyl-4aH-thieno[2,3-d]pyrimidin-3-ium-6-carboxylic acid ethyl ester Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2C(=NC=[N+](C2=O)N3C(=CC=C3C)C)S1)C

Isomeric SMILES

CCOC(=O)C1=C(C2C(=NC=[N+](C2=O)N3C(=CC=C3C)C)S1)C

InChI

InChI=1S/C16H18N3O3S/c1-5-22-16(21)13-11(4)12-14(23-13)17-8-18(15(12)20)19-9(2)6-7-10(19)3/h6-8,12H,5H2,1-4H3/q+1