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

Systemtic Name: 3-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-fluorophenyl)methyl]-3-sulfanyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[(4-fluorophenyl)methyl]-3-mercapto-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-fluorophenyl)methyl]-3-sulfanylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(4-fluorobenzyl)-3-mercapto-propanoyl]amino]benzoic acid Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CC2=CC=C(C=C2)F)CS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CC2=CC=C(C=C2)F)CS)C(=O)O

InChI

InChI=1S/C17H16FNO3S/c18-14-6-4-11(5-7-14)8-13(10-23)16(20)19-15-3-1-2-12(9-15)17(21)22/h1-7,9,13,23H,8,10H2,(H,19,20)(H,21,22)