ethyl 5-methyl-2-[(1S)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(1S)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxyethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(1S)-1-(1-oxidopyridin-1-ium-4-carbonyl)oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(1S)-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1S)-1-(1-oxidopyridin-1-ium-4-carbonyl)oxyethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(1-oxidopyridin-1-ium-4-carbonyl)oxyethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)OC(=O)C3=CC=[N+](C=C3)[O-])C

InChI

InChI=1S/C18H17N3O6S/c1-4-26-18(24)13-9(2)12-15(22)19-14(20-16(12)28-13)10(3)27-17(23)11-5-7-21(25)8-6-11/h5-8,10H,4H2,1-3H3,(H,19,20,22)/t10-/m0/s1