ethyl 3,5-dimethyl-4-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)acetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)acetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H25N3O6S/c1-4-29-20(26)19-13(2)18(14(3)21-19)16(24)12-22-11-15(7-8-17(22)25)30(27,28)23-9-5-6-10-23/h7-8,11,21H,4-6,9-10,12H2,1-3H3