2-(1,3-thiazol-2-yl)ethyl 4-cyclobutyl-4-(ethylaminomethyl)-5-methyl-1-(2-oxidanylideneethyl)-6-piperazin-1-yl-pyridine-3-carboxylate

Systemtic Name: 2-(1,3-thiazol-2-yl)ethyl 4-cyclobutyl-4-(ethylaminomethyl)-5-methyl-1-(2-oxidanylideneethyl)-6-piperazin-1-yl-pyridine-3-carboxylate Openeye Name: 2-thiazol-2-ylethyl 4-cyclobutyl-4-(ethylaminomethyl)-5-methyl-1-(2-oxoethyl)-6-piperazin-1-yl-pyridine-3-carboxylate CAS Name: 4-cyclobutyl-4-(ethylaminomethyl)-5-methyl-1-(2-oxoethyl)-6-(1-piperazinyl)-3-pyridinecarboxylic acid 2-(2-thiazolyl)ethyl ester IUPAC Name: 2-(1,3-thiazol-2-yl)ethyl 4-cyclobutyl-4-(ethylaminomethyl)-5-methyl-1-(2-oxoethyl)-6-piperazin-1-ylpyridine-3-carboxylate Traditional Name: 4-cyclobutyl-4-(ethylaminomethyl)-1-(2-ketoethyl)-5-methyl-6-piperazino-nicotinic acid 2-thiazol-2-ylethyl ester Formula: C25H37N5O3S MolecularWeight: 487.65798

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1(C(=C(N(C=C1C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3)C)C4CCC4

Isomeric SMILES

CCNCC1(C(=C(N(C=C1C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3)C)C4CCC4

InChI

InChI=1S/C25H37N5O3S/c1-3-26-18-25(20-5-4-6-20)19(2)23(29-11-8-27-9-12-29)30(13-14-31)17-21(25)24(32)33-15-7-22-28-10-16-34-22/h10,14,16-17,20,26-27H,3-9,11-13,15,18H2,1-2H3