pyridin-3-ylmethyl 2-[1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: pyridin-3-ylmethyl 2-[1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate Openeye Name: 3-pyridylmethyl 2-[1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidin-2-yl]thiazole-4-carboxylate CAS Name: 2-[1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinyl]-4-thiazolecarboxylic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidin-2-yl]thiazole-4-carboxylic acid 3-pyridylmethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C2=NC(=CS2)C(=O)OCC3=CN=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C2=NC(=CS2)C(=O)OCC3=CN=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-4-21(2,3)17(25)19(26)24-10-6-8-16(24)18-23-15(13-29-18)20(27)28-12-14-7-5-9-22-11-14/h5,7,9,11,13,16H,4,6,8,10,12H2,1-3H3