methyl 3-[2,5-dimethyl-3-(2-quinolin-2-ylsulfanylethanoyl)pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-(2-quinolin-2-ylsulfanylethanoyl)pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-(2-quinolylsulfanyl)acetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[1-oxo-2-(2-quinolinylthio)ethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-(2-quinolin-2-ylsulfanylacetyl)pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-(2-quinolylthio)acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H22N2O3S/c1-14-12-17(15(2)23(14)11-10-21(25)26-3)19(24)13-27-20-9-8-16-6-4-5-7-18(16)22-20/h4-9,12H,10-11,13H2,1-3H3