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

Systemtic Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-methoxycarbonylphenyl)methylthio]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(4-methoxycarbonylphenyl)methylsulfanyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbomethoxybenzyl)thio]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N2O5S2- MolecularWeight: 389.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C(=O)[O-]

InChI

InChI=1S/C17H14N2O5S2/c1-8-11-13(20)18-17(19-14(11)26-12(8)15(21)22)25-7-9-3-5-10(6-4-9)16(23)24-2/h3-6H,7H2,1-2H3,(H,21,22)(H,18,19,20)/p-1