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

Systemtic Name: methyl 5-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

InChI

InChI=1S/C18H19N3O3S/c1-9-6-10(2)20-17(13(9)7-19)25-8-14(22)16-11(3)15(12(4)21-16)18(23)24-5/h6,21H,8H2,1-5H3