3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-methyl-4-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 3-methyl-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-keto-3-methyl-4-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C18H14N3O3S2- MolecularWeight: 384.45206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)NC4=C3C(=C(S4)C(=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)NC4=C3C(=C(S4)C(=O)[O-])C

InChI

InChI=1S/C18H15N3O3S2/c1-8-3-4-11-12(5-8)20-18(19-11)25-7-10-6-13(22)21-16-14(10)9(2)15(26-16)17(23)24/h3-6H,7H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)/p-1