ethyl 5-chloranyl-6-[4-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazino]nicotinic acid ethyl ester Formula: C20H28ClN5O3S MolecularWeight: 453.98602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)Cl

InChI

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