2-(1,3-thiazol-2-yl)ethyl 1-(2-oxidanylideneethyl)-5-pentyl-6-piperazin-1-yl-4H-pyridine-3-carboxylate

Systemtic Name: 2-(1,3-thiazol-2-yl)ethyl 1-(2-oxidanylideneethyl)-5-pentyl-6-piperazin-1-yl-4H-pyridine-3-carboxylate Openeye Name: 2-thiazol-2-ylethyl 1-(2-oxoethyl)-5-pentyl-6-piperazin-1-yl-4H-pyridine-3-carboxylate CAS Name: 1-(2-oxoethyl)-5-pentyl-6-(1-piperazinyl)-4H-pyridine-3-carboxylic acid 2-(2-thiazolyl)ethyl ester IUPAC Name: 2-(1,3-thiazol-2-yl)ethyl 1-(2-oxoethyl)-5-pentyl-6-piperazin-1-yl-4H-pyridine-3-carboxylate Traditional Name: 5-amyl-1-(2-ketoethyl)-6-piperazino-4H-pyridine-3-carboxylic acid 2-thiazol-2-ylethyl ester Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C=C(C1)C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3

Isomeric SMILES

CCCCCC1=C(N(C=C(C1)C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3

InChI

InChI=1S/C22H32N4O3S/c1-2-3-4-5-18-16-19(22(28)29-14-6-20-24-9-15-30-20)17-26(12-13-27)21(18)25-10-7-23-8-11-25/h9,13,15,17,23H,2-8,10-12,14,16H2,1H3