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

Systemtic Name: 4-(2-aminophenyl)butanoyl 3,3,3-tris(fluoranyl)-2-(sulfanylmethyl)propanoate Openeye Name: 4-(2-aminophenyl)butanoyl 3,3,3-trifluoro-2-(sulfanylmethyl)propanoate CAS Name: 3,3,3-trifluoro-2-(mercaptomethyl)propanoic acid [4-(2-aminophenyl)-1-oxobutyl] ester IUPAC Name: 4-(2-aminophenyl)butanoyl 3,3,3-trifluoro-2-(sulfanylmethyl)propanoate Traditional Name: 3,3,3-trifluoro-2-(mercaptomethyl)propionic acid 4-(2-aminophenyl)butanoyl ester Formula: C14H16F3NO3S MolecularWeight: 335.34195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCC(=O)OC(=O)C(CS)C(F)(F)F)N

Isomeric SMILES

C1=CC=C(C(=C1)CCCC(=O)OC(=O)C(CS)C(F)(F)F)N

InChI

InChI=1S/C14H16F3NO3S/c15-14(16,17)10(8-22)13(20)21-12(19)7-3-5-9-4-1-2-6-11(9)18/h1-2,4,6,10,22H,3,5,7-8,18H2