diethyl 4-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanylpyridine-2,6-dicarboxylate

Systemtic Name: diethyl 4-[2-(thiophen-2-ylcarbonylamino)phenyl]sulfanylpyridine-2,6-dicarboxylate Openeye Name: diethyl 4-[2-(thiophene-2-carbonylamino)phenyl]sulfanylpyridine-2,6-dicarboxylate CAS Name: 4-[[2-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]pyridine-2,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-(thiophene-2-carbonylamino)phenyl]sulfanylpyridine-2,6-dicarboxylate Traditional Name: 4-[[2-(2-thenoylamino)phenyl]thio]pyridine-2,6-dicarboxylic acid diethyl ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)SC2=CC=CC=C2NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=N1)C(=O)OCC)SC2=CC=CC=C2NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20N2O5S2/c1-3-28-21(26)16-12-14(13-17(23-16)22(27)29-4-2)31-18-9-6-5-8-15(18)24-20(25)19-10-7-11-30-19/h5-13H,3-4H2,1-2H3,(H,24,25)