(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C14H11N3O3S2/c1-21-13-8(3-2-5-15-13)14(19)20-7-10-16-9-4-6-22-11(9)12(18)17-10/h2-6H,7H2,1H3,(H,16,17,18)