4-[[2-(carboxymethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(carboxymethylsulfanyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-(carboxymethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[2-(carboxymethylthio)-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[2-(carboxymethylsulfanyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-(carboxymethylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C16H12N2O5S2 MolecularWeight: 376.40688

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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)