2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylate

Systemtic Name: 2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: 4-(2-benzylsulfanylphenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-oxo-4-[2-(phenylmethylthio)phenyl]-7H-furo[3,4-b]pyridine-3-carboxylate IUPAC Name: 4-(2-benzylsulfanylphenyl)-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-5-keto-2-methyl-7H-furo[3,4-b]pyridine-3-carboxylate Formula: C22H16NO4S- MolecularWeight: 390.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=N1)COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C2C(=N1)COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H17NO4S/c1-13-18(21(24)25)19(20-16(23-13)11-27-22(20)26)15-9-5-6-10-17(15)28-12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,24,25)/p-1