5-(2-morpholin-4-ylphenyl)sulfanyl-2-(propanoylamino)benzoic acid

Systemtic Name: 5-(2-morpholin-4-ylphenyl)sulfanyl-2-(propanoylamino)benzoic acid Openeye Name: 5-(2-morpholinophenyl)sulfanyl-2-(propanoylamino)benzoic acid CAS Name: 5-[[2-(4-morpholinyl)phenyl]thio]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-(2-morpholin-4-ylphenyl)sulfanyl-2-(propanoylamino)benzoic acid Traditional Name: 5-[(2-morpholinophenyl)thio]-2-propionamido-benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2N3CCOCC3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)SC2=CC=CC=C2N3CCOCC3)C(=O)O

InChI

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