methyl 3-[3-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=C(N(C(=C3)C)CCC(=O)OC)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=C(N(C(=C3)C)CCC(=O)OC)C

InChI

InChI=1S/C23H26N2O3S/c1-14-7-6-8-18-15(2)11-21(24-23(14)18)29-13-20(26)19-12-16(3)25(17(19)4)10-9-22(27)28-5/h6-8,11-12H,9-10,13H2,1-5H3