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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C

InChI

InChI=1S/C20H23N3O3S/c1-9-10(2)15(8-21)19(23-12(9)4)27-14(6)18(24)17-11(3)16(13(5)22-17)20(25)26-7/h14,22H,1-7H3