4-[[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: 4-[[2-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: 4-[[2-(2-oxido-2-oxo-ethyl)sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[2-[(2-oxido-2-oxoethyl)thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoate IUPAC Name: 4-[[2-(2-oxido-2-oxoethyl)sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-2-[(2-keto-2-oxido-ethyl)thio]thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate Formula: C16H10N2O5S2-2 MolecularWeight: 374.391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H12N2O5S2/c19-12(20)8-25-16-17-11-5-6-24-13(11)14(21)18(16)7-9-1-3-10(4-2-9)15(22)23/h1-6H,7-8H2,(H,19,20)(H,22,23)/p-2