3-methyl-6-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 3-methyl-6-oxidanylidene-4-(pyrimidin-2-ylsulfanylmethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 3-methyl-6-oxo-4-(pyrimidin-2-ylsulfanylmethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-methyl-6-oxo-4-[(2-pyrimidinylthio)methyl]-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 3-methyl-6-oxo-4-(pyrimidin-2-ylsulfanylmethyl)-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-keto-3-methyl-4-[(2-pyrimidylthio)methyl]-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C14H10N3O3S2- MolecularWeight: 332.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=CC=N3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=CC=N3)C(=O)[O-]

InChI

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