2-(4-chlorophenyl)-5-methyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-(4-chlorophenyl)-5-methyl-3-(2-oxido-2-oxo-ethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(4-chlorophenyl)-5-methyl-3-(2-oxido-2-oxoethyl)-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 2-(4-chlorophenyl)-5-methyl-3-(2-oxido-2-oxoethyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(4-chlorophenyl)-4-keto-3-(2-keto-2-oxido-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H9ClN2O5S-2 MolecularWeight: 376.77106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H11ClN2O5S/c1-7-11-14(25-12(7)16(23)24)18-13(8-2-4-9(17)5-3-8)19(15(11)22)6-10(20)21/h2-5H,6H2,1H3,(H,20,21)(H,23,24)/p-2