ethyl 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-7-26-20(25)16-12(4)17(23-13(16)5)18(24)14(6)27-19-15(9-21)10(2)8-11(3)22-19/h8,14,23H,7H2,1-6H3