[3-[[carboxy-[3-(trifluoromethyl)phenyl]amino]methyl]-7-fluoranyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: [3-[[carboxy-[3-(trifluoromethyl)phenyl]amino]methyl]-7-fluoranyl-4-oxidanylidene-2H-thiochromen-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-7-fluoro-4-oxo-thiochroman-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid CAS Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-7-fluoro-4-oxo-2H-1-benzothiopyran-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-7-fluoro-4-oxo-2H-thiochromen-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-7-fluoro-4-keto-thiochroman-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid Formula: C27H19F7N2O5S MolecularWeight: 616.503982

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(S1)C=C(C=C2)F)(CN(C3=CC=CC(=C3)C(F)(F)F)C(=O)O)CN(C4=CC=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(=O)C2=C(S1)C=C(C=C2)F)(CN(C3=CC=CC(=C3)C(F)(F)F)C(=O)O)CN(C4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C27H19F7N2O5S/c28-17-7-8-20-21(11-17)42-14-25(22(20)37,12-35(23(38)39)18-5-1-3-15(9-18)26(29,30)31)13-36(24(40)41)19-6-2-4-16(10-19)27(32,33)34/h1-11H,12-14H2,(H,38,39)(H,40,41)