2-[2-[(3-acetamido-4-methyl-phenyl)-ethyl-amino]ethylsulfanyl]benzoic acid

Systemtic Name: 2-[2-[(3-acetamido-4-methyl-phenyl)-ethyl-amino]ethylsulfanyl]benzoic acid Openeye Name: 2-[2-(3-acetamido-N-ethyl-4-methyl-anilino)ethylsulfanyl]benzoic acid CAS Name: 2-[2-(3-acetamido-N-ethyl-4-methylanilino)ethylthio]benzoic acid IUPAC Name: 2-[2-(3-acetamido-N-ethyl-4-methylanilino)ethylsulfanyl]benzoic acid Traditional Name: 2-[2-(3-acetamido-N-ethyl-4-methyl-anilino)ethylthio]benzoic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC1=CC=CC=C1C(=O)O)C2=CC(=C(C=C2)C)NC(=O)C

Isomeric SMILES

CCN(CCSC1=CC=CC=C1C(=O)O)C2=CC(=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C20H24N2O3S/c1-4-22(16-10-9-14(2)18(13-16)21-15(3)23)11-12-26-19-8-6-5-7-17(19)20(24)25/h5-10,13H,4,11-12H2,1-3H3,(H,21,23)(H,24,25)