[1-azanyl-3-(2-ethylthiophen-3-yl)sulfanyl-3-[4-(trifluoromethyl)phenyl]propyl] benzoate

Systemtic Name: [1-azanyl-3-(2-ethylthiophen-3-yl)sulfanyl-3-[4-(trifluoromethyl)phenyl]propyl] benzoate Openeye Name: [1-amino-3-[(2-ethyl-3-thienyl)sulfanyl]-3-[4-(trifluoromethyl)phenyl]propyl] benzoate CAS Name: benzoic acid [1-amino-3-[(2-ethyl-3-thiophenyl)thio]-3-[4-(trifluoromethyl)phenyl]propyl] ester IUPAC Name: [1-amino-3-(2-ethylthiophen-3-yl)sulfanyl-3-[4-(trifluoromethyl)phenyl]propyl] benzoate Traditional Name: benzoic acid [1-amino-3-[(2-ethyl-3-thienyl)thio]-3-[4-(trifluoromethyl)phenyl]propyl] ester Formula: C23H22F3NO2S2 MolecularWeight: 465.55149

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CS1)SC(CC(N)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC1=C(C=CS1)SC(CC(N)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3NO2S2/c1-2-18-19(12-13-30-18)31-20(15-8-10-17(11-9-15)23(24,25)26)14-21(27)29-22(28)16-6-4-3-5-7-16/h3-13,20-21H,2,14,27H2,1H3