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

Systemtic Name: ethyl 2,5-dimethyl-4-(2-pyridin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(2-pyridylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-(2-pyridinylthio)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(2-pyridin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(2-pyridylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=CC=CC=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=CC=CC=N2)C)C

InChI

InChI=1S/C16H18N2O3S/c1-4-21-16(20)15-11(3)18-10(2)14(15)12(19)9-22-13-7-5-6-8-17-13/h5-8,18H,4,9H2,1-3H3