2-[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl]thio]nicotinic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C22H27N3O6S/c1-3-30-18-13-17(25-8-10-29-11-9-25)19(31-4-2)12-16(18)24-20(26)14-32-21-15(22(27)28)6-5-7-23-21/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,24,26)(H,27,28)