2-(cyclopropylcarbonylamino)-5-[3-(trifluoromethyl)phenyl]sulfanyl-benzoic acid

Systemtic Name: 2-(cyclopropylcarbonylamino)-5-[3-(trifluoromethyl)phenyl]sulfanyl-benzoic acid Openeye Name: 2-(cyclopropanecarbonylamino)-5-[3-(trifluoromethyl)phenyl]sulfanyl-benzoic acid CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-5-[[3-(trifluoromethyl)phenyl]thio]benzoic acid IUPAC Name: 2-(cyclopropanecarbonylamino)-5-[3-(trifluoromethyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-(cyclopropanecarbonylamino)-5-[[3-(trifluoromethyl)phenyl]thio]benzoic acid Formula: C18H14F3NO3S MolecularWeight: 381.36887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=C(C=C(C=C2)SC3=CC=CC(=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H14F3NO3S/c19-18(20,21)11-2-1-3-12(8-11)26-13-6-7-15(14(9-13)17(24)25)22-16(23)10-4-5-10/h1-3,6-10H,4-5H2,(H,22,23)(H,24,25)