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

Systemtic Name: ethyl 5-methyl-2-[(1S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(1S)-1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(1S)-1-[(1-oxido-2-pyridin-1-iumyl)thio]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-2-yl)sulfanylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H17N3O4S2/c1-4-24-17(22)13-9(2)12-15(21)18-14(19-16(12)26-13)10(3)25-11-7-5-6-8-20(11)23/h5-8,10H,4H2,1-3H3,(H,18,19,21)/t10-/m0/s1