3-[[5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-methylsulfanyl-6-(trifluoromethyl)indoline-1-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(methylthio)-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(methylthio)-6-(trifluoromethyl)indoline-1-carbonyl]amino]benzoic acid Formula: C18H15F3N2O3S MolecularWeight: 396.38351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC=CC(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC=CC(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O3S/c1-27-15-8-10-5-6-23(14(10)9-13(15)18(19,20)21)17(26)22-12-4-2-3-11(7-12)16(24)25/h2-4,7-9H,5-6H2,1H3,(H,22,26)(H,24,25)