3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid Formula: C20H18F3NO4S MolecularWeight: 425.42143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO4S/c1-12(25)29-11-15(7-13-5-3-2-4-6-13)18(26)24-17-9-14(19(27)28)8-16(10-17)20(21,22)23/h2-6,8-10,15H,7,11H2,1H3,(H,24,26)(H,27,28)