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

Systemtic Name: 2-(1,3-thiazol-2-yl)ethyl 4-cyclopentyl-4-(diethylaminomethyl)-5-methyl-1-(2-oxidanylideneethyl)-6-piperazin-1-yl-pyridine-3-carboxylate Openeye Name: 2-thiazol-2-ylethyl 4-cyclopentyl-4-(diethylaminomethyl)-5-methyl-1-(2-oxoethyl)-6-piperazin-1-yl-pyridine-3-carboxylate CAS Name: 4-cyclopentyl-4-(diethylaminomethyl)-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-cyclopentyl-4-(diethylaminomethyl)-5-methyl-1-(2-oxoethyl)-6-piperazin-1-ylpyridine-3-carboxylate Traditional Name: 4-cyclopentyl-4-(diethylaminomethyl)-1-(2-ketoethyl)-5-methyl-6-piperazino-nicotinic acid 2-thiazol-2-ylethyl ester Formula: C28H43N5O3S MolecularWeight: 529.73772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1(C(=C(N(C=C1C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3)C)C4CCCC4

Isomeric SMILES

CCN(CC)CC1(C(=C(N(C=C1C(=O)OCCC2=NC=CS2)CC=O)N3CCNCC3)C)C4CCCC4

InChI

InChI=1S/C28H43N5O3S/c1-4-31(5-2)21-28(23-8-6-7-9-23)22(3)26(32-14-11-29-12-15-32)33(16-17-34)20-24(28)27(35)36-18-10-25-30-13-19-37-25/h13,17,19-20,23,29H,4-12,14-16,18,21H2,1-3H3