tert-butyl 4-(6-nitro-1,3-benzothiazol-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-nitro-1,3-benzothiazol-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(6-nitro-1,3-benzothiazol-2-yl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(6-nitro-1,3-benzothiazol-2-yl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-nitro-1,3-benzothiazol-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(6-nitro-1,3-benzothiazol-2-yl)-4-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)(C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])N5CCNCC5

InChI

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