3-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-3-(4-fluorophenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]amino]benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(4-fluorophenyl)propanoyl]amino]benzoic acid Formula: C19H18FNO4S MolecularWeight: 375.413923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)F)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)F)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H18FNO4S/c1-12(22)26-11-15(9-13-5-7-16(20)8-6-13)18(23)21-17-4-2-3-14(10-17)19(24)25/h2-8,10,15H,9,11H2,1H3,(H,21,23)(H,24,25)