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

Systemtic Name: ethyl 5-[(2S)-2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=C(C(=C2C#N)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC(=C(C(=C2C#N)C)C)C)C

InChI

InChI=1S/C21H25N3O3S/c1-8-27-21(26)17-12(4)18(23-14(17)6)19(25)15(7)28-20-16(9-22)11(3)10(2)13(5)24-20/h15,23H,8H2,1-7H3/t15-/m0/s1