2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanyl-ethanoic acid

Systemtic Name: 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanyl-ethanoic acid Openeye Name: 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanyl-acetic acid CAS Name: 2-(4-methoxyphenyl)-2-[[2-(1-pyrrolyl)-4-(trifluoromethyl)phenyl]thio]acetic acid IUPAC Name: 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanylacetic acid Traditional Name: 2-(4-methoxyphenyl)-2-[[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]thio]acetic acid Formula: C20H16F3NO3S MolecularWeight: 407.40615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=C(C=C2)C(F)(F)F)N3C=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)O)SC2=C(C=C(C=C2)C(F)(F)F)N3C=CC=C3

InChI

InChI=1S/C20H16F3NO3S/c1-27-15-7-4-13(5-8-15)18(19(25)26)28-17-9-6-14(20(21,22)23)12-16(17)24-10-2-3-11-24/h2-12,18H,1H3,(H,25,26)