[3-[[carboxy-[3-(trifluoromethyl)phenyl]amino]methyl]-5,6-bis(chloranyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: [3-[[carboxy-[3-(trifluoromethyl)phenyl]amino]methyl]-5,6-bis(chloranyl)-4-oxidanylidene-2H-thiochromen-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-5,6-dichloro-4-oxo-thiochroman-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid CAS Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-5,6-dichloro-4-oxo-2H-1-benzothiopyran-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-5,6-dichloro-4-oxo-2H-thiochromen-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [3-[[N-carboxy-3-(trifluoromethyl)anilino]methyl]-5,6-dichloro-4-keto-thiochroman-3-yl]methyl-[3-(trifluoromethyl)phenyl]carbamic acid Formula: C27H18Cl2F6N2O5S MolecularWeight: 667.403639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C(S1)C=CC(=C2Cl)Cl)(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=CC(=C2Cl)Cl)(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/C27H18Cl2F6N2O5S/c28-18-7-8-19-20(21(18)29)22(38)25(13-43-19,11-36(23(39)40)16-5-1-3-14(9-16)26(30,31)32)12-37(24(41)42)17-6-2-4-15(10-17)27(33,34)35/h1-10H,11-13H2,(H,39,40)(H,41,42)