methyl 4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-2-carboxylate

Systemtic Name: methyl 4-[3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-2-carboxylate Openeye Name: methyl 4-[3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-2-carboxylate CAS Name: 4-[5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-2-carboxylate Traditional Name: 4-[3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinaldic acid methyl ester Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=CC=CC=C2C(=C1)C3(CC(NC3)C(=O)N4CCSC4)N5CCNCC5

Isomeric SMILES

COC(=O)C1=NC2=CC=CC=C2C(=C1)C3(CC(NC3)C(=O)N4CCSC4)N5CCNCC5

InChI

InChI=1S/C23H29N5O3S/c1-31-22(30)19-12-17(16-4-2-3-5-18(16)26-19)23(28-8-6-24-7-9-28)13-20(25-14-23)21(29)27-10-11-32-15-27/h2-5,12,20,24-25H,6-11,13-15H2,1H3