methyl 2-[2-(3-butyl-2-phenyl-pyrrol-1-yl)ethylsulfanyl]ethanoate

Systemtic Name: methyl 2-[2-(3-butyl-2-phenyl-pyrrol-1-yl)ethylsulfanyl]ethanoate Openeye Name: methyl 2-[2-(3-butyl-2-phenyl-pyrrol-1-yl)ethylsulfanyl]acetate CAS Name: 2-[2-(3-butyl-2-phenyl-1-pyrrolyl)ethylthio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-butyl-2-phenylpyrrol-1-yl)ethylsulfanyl]acetate Traditional Name: 2-[2-(3-butyl-2-phenyl-pyrrol-1-yl)ethylthio]acetic acid methyl ester Formula: C19H25NO2S MolecularWeight: 331.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C=C1)CCSCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(N(C=C1)CCSCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO2S/c1-3-4-8-17-11-12-20(13-14-23-15-18(21)22-2)19(17)16-9-6-5-7-10-16/h5-7,9-12H,3-4,8,13-15H2,1-2H3