(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)OCC(=O)N3CCOCC3

InChI

InChI=1S/C20H22N2O4S/c1-14-5-6-15(2)17(12-14)27-19-16(4-3-7-21-19)20(24)26-13-18(23)22-8-10-25-11-9-22/h3-7,12H,8-11,13H2,1-2H3