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

Systemtic Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H21Cl2NO3S MolecularWeight: 498.42084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21Cl2NO3S/c1-16-11-22(17(2)29(16)20-8-10-23(27)24(28)13-20)25(30)14-32-26(31)15-33-21-9-7-18-5-3-4-6-19(18)12-21/h3-13H,14-15H2,1-2H3