ethyl 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanyl-ethanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanyl-ethanoate Openeye Name: ethyl 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanyl-acetate CAS Name: 2-(4-methoxyphenyl)-2-[[2-(1-pyrrolyl)-4-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxyphenyl)-2-[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-(4-methoxyphenyl)-2-[[2-pyrrol-1-yl-4-(trifluoromethyl)phenyl]thio]acetic acid ethyl ester Formula: C22H20F3NO3S MolecularWeight: 435.45931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F3NO3S/c1-3-29-21(27)20(15-6-9-17(28-2)10-7-15)30-19-11-8-16(22(23,24)25)14-18(19)26-12-4-5-13-26/h4-14,20H,3H2,1-2H3