5-[(2-morpholin-4-ylphenyl)sulfanylmethyl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[(2-morpholin-4-ylphenyl)sulfanylmethyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[(2-morpholinophenyl)sulfanylmethyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[[[2-(4-morpholinyl)phenyl]thio]methyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[(2-morpholin-4-ylphenyl)sulfanylmethyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-[[(2-morpholinophenyl)thio]methyl]-2-propionamido-benzoic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2N3CCOCC3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)CSC2=CC=CC=C2N3CCOCC3)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-2-20(24)22-17-8-7-15(13-16(17)21(25)26)14-28-19-6-4-3-5-18(19)23-9-11-27-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H,22,24)(H,25,26)