ethyl 5-chloranyl-6-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate trihydrochloride

Systemtic Name: ethyl 5-chloranyl-6-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate trihydrochloride Openeye Name: ethyl 5-chloro-6-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate trihydrochloride CAS Name: 5-chloro-6-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-3-pyridinecarboxylic acid ethyl ester trihydrochloride IUPAC Name: ethyl 5-chloro-6-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate trihydrochloride Traditional Name: 5-chloro-6-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]nicotinic acid ethyl ester trihydrochloride Formula: C20H31Cl4N5O3S MolecularWeight: 563.36884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)C2(CC(NC2)C(=O)N3CCSC3)N4CCNCC4)Cl.Cl.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)C2(CC(NC2)C(=O)N3CCSC3)N4CCNCC4)Cl.Cl.Cl.Cl

InChI

InChI=1S/C20H28ClN5O3S.3ClH/c1-2-29-19(28)14-9-15(21)17(23-11-14)20(26-5-3-22-4-6-26)10-16(24-12-20)18(27)25-7-8-30-13-25;;;/h9,11,16,22,24H,2-8,10,12-13H2,1H3;3*1H