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

Systemtic Name: 2-(1,3-thiazol-2-yl)ethyl 5-butyl-1-(2-oxidanylideneethyl)-6-piperazin-1-yl-4H-pyridine-3-carboxylate Openeye Name: 2-thiazol-2-ylethyl 5-butyl-1-(2-oxoethyl)-6-piperazin-1-yl-4H-pyridine-3-carboxylate CAS Name: 5-butyl-1-(2-oxoethyl)-6-(1-piperazinyl)-4H-pyridine-3-carboxylic acid 2-(2-thiazolyl)ethyl ester IUPAC Name: 2-(1,3-thiazol-2-yl)ethyl 5-butyl-1-(2-oxoethyl)-6-piperazin-1-yl-4H-pyridine-3-carboxylate Traditional Name: 5-butyl-1-(2-ketoethyl)-6-piperazino-4H-pyridine-3-carboxylic acid 2-thiazol-2-ylethyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C=C(C1)C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3

Isomeric SMILES

CCCCC1=C(N(C=C(C1)C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3

InChI

InChI=1S/C21H30N4O3S/c1-2-3-4-17-15-18(21(27)28-13-5-19-23-8-14-29-19)16-25(11-12-26)20(17)24-9-6-22-7-10-24/h8,12,14,16,22H,2-7,9-11,13,15H2,1H3