5-methyl-2-[[4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylphenyl]carbonylamino]benzoic acid

Systemtic Name: 5-methyl-2-[[4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylphenyl]carbonylamino]benzoic acid Openeye Name: 5-methyl-2-[[4-[4-(2-morpholinoethoxy)phenyl]sulfanylbenzoyl]amino]benzoic acid CAS Name: 5-methyl-2-[[[4-[[4-[2-(4-morpholinyl)ethoxy]phenyl]thio]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[[4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzoyl]amino]benzoic acid Traditional Name: 5-methyl-2-[[4-[[4-(2-morpholinoethoxy)phenyl]thio]benzoyl]amino]benzoic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)OCCN4CCOCC4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)OCCN4CCOCC4)C(=O)O

InChI

InChI=1S/C27H28N2O5S/c1-19-2-11-25(24(18-19)27(31)32)28-26(30)20-3-7-22(8-4-20)35-23-9-5-21(6-10-23)34-17-14-29-12-15-33-16-13-29/h2-11,18H,12-17H2,1H3,(H,28,30)(H,31,32)