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

Systemtic Name: ethyl 4-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C

InChI

InChI=1S/C20H21N3O4S/c1-6-27-20(26)18-10(2)17(12(4)22-18)16(25)9-28-19-14(8-21)7-15(13(5)24)11(3)23-19/h7,22H,6,9H2,1-5H3