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

Systemtic Name: methyl 4-[4-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxylate Openeye Name: methyl 4-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxylate CAS Name: 4-[4-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-1-piperazinyl]-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]quinoline-2-carboxylate Traditional Name: 4-[4-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazino]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)N3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5

Isomeric SMILES

COC(=O)C1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5

InChI

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