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

Systemtic Name: 2-[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-3-30-19-14-18(25-9-11-29-12-10-25)20(31-4-2)13-17(19)24-22(26)15-32-21-8-6-5-7-16(21)23(27)28/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,24,26)(H,27,28)