ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=C(C=CC=C3C)C(=C2)C)C)C

InChI

InChI=1S/C22H24N2O3S/c1-6-27-22(26)20-15(5)23-14(4)19(20)17(25)11-28-18-10-13(3)16-9-7-8-12(2)21(16)24-18/h7-10,23H,6,11H2,1-5H3