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

Systemtic Name: methyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(2-pyridylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(2-pyridinylthio)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(2-pyridylthio)acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C15H16N2O3S/c1-9-13(15(19)20-3)10(2)17-14(9)11(18)8-21-12-6-4-5-7-16-12/h4-7,17H,8H2,1-3H3