3-methyl-4-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 3-methyl-4-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 3-methyl-4-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-methyl-4-[[(1-methyl-5-phenyl-2-imidazolyl)thio]methyl]-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate IUPAC Name: 3-methyl-4-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-keto-3-methyl-4-[[(1-methyl-5-phenyl-imidazol-2-yl)thio]methyl]-7H-thieno[2,3-b]pyridine-2-carboxylate Formula: C20H16N3O3S2- MolecularWeight: 410.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=C(N3C)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=CC(=O)N2)CSC3=NC=C(N3C)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H17N3O3S2/c1-11-16-13(8-15(24)22-18(16)28-17(11)19(25)26)10-27-20-21-9-14(23(20)2)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,22,24)(H,25,26)/p-1