ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetate CAS Name: 2-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetate Traditional Name: 2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]thio]acetic acid ethyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC=C(C=C1)N2C(=CC=C2C)C

Isomeric SMILES

CCOC(=O)CSC1=CC=C(C=C1)N2C(=CC=C2C)C

InChI

InChI=1S/C16H19NO2S/c1-4-19-16(18)11-20-15-9-7-14(8-10-15)17-12(2)5-6-13(17)3/h5-10H,4,11H2,1-3H3