tert-butyl 4-[4-(5-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(5-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(5-nitro-1,3-benzothiazol-2-yl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H32N6O5S2 MolecularWeight: 548.67808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O5S2/c1-24(2,3)35-23(32)29-14-17(13-19(29)21(31)28-10-11-36-15-28)26-6-8-27(9-7-26)22-25-18-12-16(30(33)34)4-5-20(18)37-22/h4-5,12,17,19H,6-11,13-15H2,1-3H3