methyl 1-[6-oxidanylidene-6-(pyridin-2-ylamino)-4-thiophen-2-ylcarbonyl-hexyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[6-oxidanylidene-6-(pyridin-2-ylamino)-4-thiophen-2-ylcarbonyl-hexyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[6-oxo-6-(2-pyridylamino)-4-(thiophene-2-carbonyl)hexyl]pyrrolidine-2-carboxylate CAS Name: 1-[6-oxo-4-[oxo(thiophen-2-yl)methyl]-6-(2-pyridinylamino)hexyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-oxo-6-(pyridin-2-ylamino)-4-(thiophene-2-carbonyl)hexyl]pyrrolidine-2-carboxylate Traditional Name: 1-[6-keto-6-(2-pyridylamino)-4-(2-thenoyl)hexyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CCCC(CC(=O)NC2=CC=CC=N2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1CCCN1CCCC(CC(=O)NC2=CC=CC=N2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-29-22(28)17-8-5-13-25(17)12-4-7-16(21(27)18-9-6-14-30-18)15-20(26)24-19-10-2-3-11-23-19/h2-3,6,9-11,14,16-17H,4-5,7-8,12-13,15H2,1H3,(H,23,24,26)