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

Systemtic Name: ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]quinoline-3-carboxylate Openeye Name: ethyl 4-[1-tert-butoxycarbonyl-3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-3-carboxylate CAS Name: 4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-3-carboxylate Traditional Name: 4-[1-tert-butoxycarbonyl-3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]quinoline-3-carboxylic acid ethyl ester Formula: C29H39N5O5S MolecularWeight: 569.71546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1)C3(CC(N(C3)C(=O)OC(C)(C)C)C(=O)N4CCSC4)N5CCNCC5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1)C3(CC(N(C3)C(=O)OC(C)(C)C)C(=O)N4CCSC4)N5CCNCC5

InChI

InChI=1S/C29H39N5O5S/c1-5-38-26(36)21-17-31-22-9-7-6-8-20(22)24(21)29(33-12-10-30-11-13-33)16-23(25(35)32-14-15-40-19-32)34(18-29)27(37)39-28(2,3)4/h6-9,17,23,30H,5,10-16,18-19H2,1-4H3