methyl 1-[6-oxidanylidene-6-[(3-thiophen-2-ylcarbonylpyridin-2-yl)amino]hexyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[6-oxidanylidene-6-[(3-thiophen-2-ylcarbonylpyridin-2-yl)amino]hexyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[6-oxo-6-[[3-(thiophene-2-carbonyl)-2-pyridyl]amino]hexyl]pyrrolidine-2-carboxylate CAS Name: 1-[6-oxo-6-[[3-[oxo(thiophen-2-yl)methyl]-2-pyridinyl]amino]hexyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-oxo-6-[[3-(thiophene-2-carbonyl)pyridin-2-yl]amino]hexyl]pyrrolidine-2-carboxylate Traditional Name: 1-[6-keto-6-[[3-(2-thenoyl)-2-pyridyl]amino]hexyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CCCCCC(=O)NC2=C(C=CC=N2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1CCCN1CCCCCC(=O)NC2=C(C=CC=N2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-29-22(28)17-9-6-14-25(17)13-4-2-3-11-19(26)24-21-16(8-5-12-23-21)20(27)18-10-7-15-30-18/h5,7-8,10,12,15,17H,2-4,6,9,11,13-14H2,1H3,(H,23,24,26)