2-methoxy-5-[[2-(4-methylphenyl)sulfanylpropanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(4-methylphenyl)sulfanylpropanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[2-(p-tolylsulfanyl)propanoylamino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[2-(4-methylphenyl)sulfanylpropanoylamino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[2-(p-tolylthio)propanoylamino]methyl]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-12-4-7-15(8-5-12)25-13(2)18(21)20-11-14-6-9-17(24-3)16(10-14)19(22)23/h4-10,13H,11H2,1-3H3,(H,20,21)(H,22,23)