5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-2-(p-tolylsulfonylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2-[(4-methylphenyl)sulfonylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(tosylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H13N2O5S2- MolecularWeight: 377.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

InChI

InChI=1S/C16H14N2O5S2/c1-8-3-5-10(6-4-8)25(22,23)7-11-17-14(19)12-9(2)13(16(20)21)24-15(12)18-11/h3-6H,7H2,1-2H3,(H,20,21)(H,17,18,19)/p-1