ethyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(2-pyridylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(2-pyridinylthio)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(2-pyridylthio)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=CC=CC=N2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=CC=CC=N2)C

InChI

InChI=1S/C17H20N2O3S/c1-5-22-17(21)14-10(2)15(19-11(14)3)16(20)12(4)23-13-8-6-7-9-18-13/h6-9,12,19H,5H2,1-4H3