4-(2-aminophenyl)butanoyl 2-(ethanoylsulfanylmethyl)-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: 4-(2-aminophenyl)butanoyl 2-(ethanoylsulfanylmethyl)-3,3,3-tris(fluoranyl)propanoate Openeye Name: 4-(2-aminophenyl)butanoyl 2-(acetylsulfanylmethyl)-3,3,3-trifluoro-propanoate CAS Name: 2-[(acetylthio)methyl]-3,3,3-trifluoropropanoic acid [4-(2-aminophenyl)-1-oxobutyl] ester IUPAC Name: 4-(2-aminophenyl)butanoyl 2-(acetylsulfanylmethyl)-3,3,3-trifluoropropanoate Traditional Name: 2-[(acetylthio)methyl]-3,3,3-trifluoro-propionic acid 4-(2-aminophenyl)butanoyl ester Formula: C16H18F3NO4S MolecularWeight: 377.37863

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)OC(=O)CCCC1=CC=CC=C1N)C(F)(F)F

Isomeric SMILES

CC(=O)SCC(C(=O)OC(=O)CCCC1=CC=CC=C1N)C(F)(F)F

InChI

InChI=1S/C16H18F3NO4S/c1-10(21)25-9-12(16(17,18)19)15(23)24-14(22)8-4-6-11-5-2-3-7-13(11)20/h2-3,5,7,12H,4,6,8-9,20H2,1H3