ethyl 6-[[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbonylamino]hexanoate

Systemtic Name: ethyl 6-[[2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)carbonyl]pyrazolidin-1-yl]carbonylamino]hexanoate Openeye Name: ethyl 6-[[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbonyl]amino]hexanoate CAS Name: 6-[[oxo-[2-[oxo-[2-(3-pyridinyl)-4-thiazolyl]methyl]-1-pyrazolidinyl]methyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbonyl]amino]hexanoate Traditional Name: 6-[[2-[2-(3-pyridyl)thiazole-4-carbonyl]pyrazolidine-1-carbonyl]amino]hexanoic acid ethyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)N1CCCN1C(=O)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)N1CCCN1C(=O)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H27N5O4S/c1-2-30-18(27)9-4-3-5-11-23-21(29)26-13-7-12-25(26)20(28)17-15-31-19(24-17)16-8-6-10-22-14-16/h6,8,10,14-15H,2-5,7,9,11-13H2,1H3,(H,23,29)