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

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-5-(trifluoromethyl)benzoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[[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=C(C=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

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