3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-5-(trifluoromethyl)benzoic acid Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H16F3NO3S/c19-18(20,21)14-7-12(17(24)25)8-15(9-14)22-16(23)13(10-26)6-11-4-2-1-3-5-11/h1-5,7-9,13,26H,6,10H2,(H,22,23)(H,24,25)