triethyl 2-methylsulfanyl-3H-imidazo[4,5-c]pyridine-4,6,7-tricarboxylate

Systemtic Name: triethyl 2-methylsulfanyl-3H-imidazo[4,5-c]pyridine-4,6,7-tricarboxylate Openeye Name: triethyl 2-methylsulfanyl-3H-imidazo[4,5-c]pyridine-4,6,7-tricarboxylate CAS Name: 2-(methylthio)-3H-imidazo[4,5-c]pyridine-4,6,7-tricarboxylic acid triethyl ester IUPAC Name: triethyl 2-methylsulfanyl-3H-imidazo[4,5-c]pyridine-4,6,7-tricarboxylate Traditional Name: 2-(methylthio)-3H-imidazo[4,5-c]pyridine-4,6,7-tricarboxylic acid triethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(N=C1C(=O)OCC)C(=O)OCC)NC(=N2)SC

Isomeric SMILES

CCOC(=O)C1=C2C(=C(N=C1C(=O)OCC)C(=O)OCC)NC(=N2)SC

InChI

InChI=1S/C16H19N3O6S/c1-5-23-13(20)8-9-11(19-16(18-9)26-4)12(15(22)25-7-3)17-10(8)14(21)24-6-2/h5-7H2,1-4H3,(H,18,19)