ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperazin-1-yl-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[1-tert-butoxycarbonyl-3-piperazin-1-yl-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate CAS Name: 6-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-[oxo(3-thiazolidinyl)methyl]-3-(1-piperazinyl)-3-pyrrolidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperazin-1-yl-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxylate Traditional Name: 6-[1-tert-butoxycarbonyl-3-piperazino-5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]nicotinic acid ethyl ester Formula: C25H37N5O5S MolecularWeight: 519.65678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C2(CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3)N4CCNCC4

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2(CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3)N4CCNCC4

InChI

InChI=1S/C25H37N5O5S/c1-5-34-22(32)18-6-7-20(27-15-18)25(29-10-8-26-9-11-29)14-19(21(31)28-12-13-36-17-28)30(16-25)23(33)35-24(2,3)4/h6-7,15,19,26H,5,8-14,16-17H2,1-4H3