[2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H22FNO3S MolecularWeight: 447.521183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22FNO3S/c1-17-13-24(18(2)28(17)22-10-8-21(27)9-11-22)25(29)15-31-26(30)16-32-23-12-7-19-5-3-4-6-20(19)14-23/h3-14H,15-16H2,1-2H3