2-[6-chloranyl-5-methoxy-2-methyl-1-[5-(trifluoromethyloxy)thiophen-3-yl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-5-methoxy-2-methyl-1-[5-(trifluoromethyloxy)thiophen-3-yl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-5-methoxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid CAS Name: 2-[6-chloro-5-methoxy-2-methyl-1-[oxo-[5-(trifluoromethoxy)-3-thiophenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[6-chloro-5-methoxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid Traditional Name: 2-[6-chloro-5-methoxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid Formula: C18H13ClF3NO5S MolecularWeight: 447.81273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CSC(=C3)OC(F)(F)F)Cl)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CSC(=C3)OC(F)(F)F)Cl)OC)CC(=O)O

InChI

InChI=1S/C18H13ClF3NO5S/c1-8-10(5-15(24)25)11-4-14(27-2)12(19)6-13(11)23(8)17(26)9-3-16(29-7-9)28-18(20,21)22/h3-4,6-7H,5H2,1-2H3,(H,24,25)