ethyl 2,5-dimethyl-4-(2-quinolin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(2-quinolin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(2-quinolylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(2-quinolinylthio)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(2-quinolin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(2-quinolylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-4-25-20(24)19-13(3)21-12(2)18(19)16(23)11-26-17-10-9-14-7-5-6-8-15(14)22-17/h5-10,21H,4,11H2,1-3H3